A0A3Q0KGY0_SCHMA Loading...

Eh domain containing/past-1-related

AlphaFold DB , UniProt , Accession A0A3Q0KGY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 544 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low39.6Very low234 Ų234155.4 Ų155.4100%1.15382%0.82SS**  0-17.10-82.8-175.8-165.900114.5
2L37.4Very low40.6Very low170 Ų170155.1 Ų155.189%0.8982%0.819SS**THydrogen-bonded Turntrans-90.17.1-178.1-83.9148.6000115.6
3S38Very low41.6Very low111 Ų111152.3 Ų152.378%0.77680%0.799SS**THydrogen-bonded Turntrans-91.5-1.1179.459.90000114.9
4A44.5Very low43.2Very low92 Ų92145.4 Ų145.476%0.7676%0.761SS**THydrogen-bonded Turntrans-98.515.4-173.300000115.1
5L37.7Very low45.3Very low159 Ų159143.6 Ų143.683%0.83276%0.758SS**THydrogen-bonded Turntrans-116.421.2177.9-80.6160.6000113.6N7L5-N7 PolarHBondContact O-N 3.47Å; L5-N7 VanDerWaalsContact O-N 3.09Å
6K37.8Very low47.8Very low195 Ų195135.8 Ų135.885%0.84872%0.715SS**SBendtrans-79.391.8167.1-87.1-173.3175.9-178.80109.9S8K6-S8 PolarHBondContact O-N 3.47Å
7N40.7Very low49.8Very low137 Ų137135.8 Ų135.873%0.73372%0.716SS**  trans39.281.7147-69.5-17.8000115.5L5 R9L5-N7 PolarHBondContact O-N 3.47Å; L5-N7 VanDerWaalsContact O-N 3.09Å; N7-R9 PolarHBondContact O-N 2.9Å
8S36.6Very low51.9Low120 Ų120131.9 Ų131.984%0.83970%0.696SS**  trans-65.873153.857.50000109.4K6 P10K6-S8 PolarHBondContact O-N 3.47Å; S8-P10 WeakPolarHBondContact O-CD 3.41Å
9R39.8Very low53.8Low205 Ų205125 Ų12577%0.77466%0.659SS**  trans-65.9122.2158.1-77.3-173.7177.8-177.8-1.4105.9N7 K11N7-R9 PolarHBondContact O-N 2.9Å; R9-K11 PolarHBondContact O-N 2.92Å; R9-K11 VanDerWaalsContact O-N 3.11Å
10P41.9Very low55.6Low80 Ų80120.7 Ų120.752%0.51964%0.636SS.*  trans-57.3121.8179.4-17.529000108S8 D12 Q13S8-P10 WeakPolarHBondContact O-CD 3.41Å; P10-D12 PolarHBondContact O-N 3.36Å; P10-Q13 HydrophobicContact CB-CG 4.34Å; P10-Q13 PolarHBondContact O-N 3.05Å
11K44.3Very low57.3Low206 Ų206116.2 Ų116.290%0.89661%0.613SS**THydrogen-bonded Turntrans-63.4-2.5-169.9-86.2-174.8172.9-1780115.3R9R9-K11 PolarHBondContact O-N 2.92Å; R9-K11 VanDerWaalsContact O-N 3.11Å
12D51.4Low60Low152 Ų152105.1 Ų105.181%0.81356%0.558SS**THydrogen-bonded Turntrans-121.821.9-174.6-62.7-37.9000113.6P10 E14P10-D12 PolarHBondContact O-N 3.36Å; D12-E14 PolarHBondContact O-N 2.86Å
13Q54.6Low62.7Low119 Ų11997 Ų9756%0.55652%0.516SS*.  trans-83106.5172.4-74.9-176.7-14.500110.1P10 V15P10-Q13 HydrophobicContact CB-CG 4.34Å; P10-Q13 PolarHBondContact O-N 3.05Å; Q13-V15 PolarHBondContact O-N 3.27Å
14E63.5Low65.4Low56 Ų5693.4 Ų93.426%0.26249%0.486SS..  trans-62.2127.8167.9-68.8-170.5140.300109.2D12 Y16 K29D12-E14 PolarHBondContact O-N 2.86Å; E14-Y16 HydrophobicContact CB-CE1 3.72Å; E14-Y16 PolarHBondContact OE2-OH 2.89Å; E14-K29 VanDerWaalsContact OE1-CD 3.31Å; E14-K29 WeakPolarHBondContact OE1-CD 3.49Å; E14-K29 WeakPolarHBondContact OE1-CE 3.36Å; E14-K29 IonicContact OE1-NZ 3.86Å; E14-K29 PolarHBondContact OE1-NZ 3.41Å; E14-K29 IonicContact OE2-NZ 3.29Å
15V75.2Confident67.9Low118 Ų11892.8 Ų92.872%0.71547%0.466SS*.  trans-98.5127.7173.7-178.20000106.7Q13Q13-V15 PolarHBondContact O-N 3.27Å
16Y84.3Confident70.7Confident19 Ų1985.2 Ų85.28%0.07543%0.427CS..  trans-109.1139.8179.1-47.9-63.1000109.2E14 D21 K25 L26 E387 L391E14-Y16 HydrophobicContact CB-CE1 3.72Å; E14-Y16 PolarHBondContact OE2-OH 2.89Å; Y16-D21 WeakPolarHBondContact CA-OD2 3.5Å; Y16-K25 HydrophobicContact CD1-CD 4.01Å; Y16-K25 HydrophobicContact CE1-CB 4.35Å; Y16-K25 HydrophobicContact CE1-CD 4.28Å; Y16-L26 WeakPolarHBondContact OH-CD2 3.31Å; Y16-E387 PolarHBondContact OH-OE2 3.43Å; Y16-L391 HydrophobicContact CD2-CD2 3.54Å; Y16-L391 HydrophobicContact CE2-CD2 3.98Å; Y16-L391 HydrophobicContact CG-CD2 4.13Å
17D82.1Confident73.5Confident136 Ų13675.9 Ų75.973%0.72739%0.386SS*.SBendtrans-75.8-36.6-179.4-65.5-36.1000111.4D21D17-D21 HydrophobicContact CB-CB 4.5Å; D17-D21 PolarHBondContact N-OD2 3.48Å
18N87.4Confident76.2Confident66 Ų6673.4 Ų73.435%0.35337%0.369SS..SBendtrans-153.2179.417358.149.9000109.8I20 D21 G22N18-I20 VanDerWaalsContact C-N 3.33Å; N18-I20 PolarHBondContact O-N 2.92Å; N18-I20 WeakPolarHBondContact OD1-CB 3.32Å; N18-I20 PolarHBondContact OD1-N 2.93Å; N18-I20 VanDerWaalsContact OD1-N 3.09Å; N18-D21 PolarHBondContact O-N 2.91Å; N18-D21 PolarHBondContact OD1-N 3.44Å; N18-G22 PolarHBondContact O-N 2.97Å; N18-G22 VanDerWaalsContact O-N 3.12Å
19V88.5Confident79Confident0 Ų073.3 Ų73.30%035%0.354CS..Hα-helixtrans-65.6-37.3-178174.70000111.9G22 L23 T288 L391 M394 I395 E398V19-G22 PolarHBondContact O-N 3.29Å; V19-L23 HydrophobicContact CG1-CD1 4.11Å; V19-L23 HydrophobicContact CG1-CG 4.21Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.99Å; V19-T288 HydrophobicContact CB-CG2 3.43Å; V19-T288 VanDerWaalsContact CB-CG2 3.43Å; V19-T288 HydrophobicContact CG1-CG2 3.43Å; V19-T288 VanDerWaalsContact CG1-CG2 3.43Å; V19-T288 HydrophobicContact CG2-CG2 4.1Å; V19-L391 HydrophobicContact CG1-CB 4.2Å; V19-L391 WeakPolarHBondContact CG2-O 3.31Å; V19-M394 HydrophobicContact CG2-CB 3.63Å; V19-I395 HydrophobicContact CB-CD1 4.49Å; V19-I395 HydrophobicContact CG1-CD1 4.15Å; V19-I395 HydrophobicContact CG2-CD1 4Å; V19-I395 HydrophobicContact CG2-CG1 4.46Å; V19-E398 WeakPolarHBondContact CB-OE2 3.42Å; V19-E398 WeakPolarHBondContact CG2-OE2 3.4Å; V19-E398 PolarHBondContact N-OE2 3.4Å
20I89.6Confident81.7Confident39 Ų3965.9 Ų65.920%0.233%0.327CS..Hα-helixtrans-62.5-47.3179.8-63179.1000110.8N18 G22 L23 E24 F53N18-I20 VanDerWaalsContact C-N 3.33Å; N18-I20 PolarHBondContact O-N 2.92Å; N18-I20 WeakPolarHBondContact OD1-CB 3.32Å; N18-I20 PolarHBondContact OD1-N 2.93Å; N18-I20 VanDerWaalsContact OD1-N 3.09Å; I20-G22 VanDerWaalsContact C-N 3.28Å; I20-G22 PolarHBondContact O-N 3.48Å; I20-L23 PolarHBondContact O-N 3Å; I20-E24 PolarHBondContact O-N 2.76Å; I20-F53 HydrophobicContact CG2-CB 3.91Å; I20-F53 WeakPolarHBondContact CG2-O 3.32Å
21D91.6Very high84.3Confident27 Ų2762.1 Ų62.114%0.14430%0.302CS..Hα-helixtrans-58.3-41.3174.4171.359.6000111.5Y16 D17 N18 E24 K25Y16-D21 WeakPolarHBondContact CA-OD2 3.5Å; D17-D21 HydrophobicContact CB-CB 4.5Å; D17-D21 PolarHBondContact N-OD2 3.48Å; N18-D21 PolarHBondContact O-N 2.91Å; N18-D21 PolarHBondContact OD1-N 3.44Å; D21-E24 PolarHBondContact O-N 2.73Å; D21-K25 WeakPolarHBondContact O-CB 3.36Å; D21-K25 WeakPolarHBondContact O-CG 3.35Å; D21-K25 PolarHBondContact O-N 3.3Å; D21-K25 WeakPolarHBondContact OD1-CE 3.36Å; D21-K25 IonicContact OD1-NZ 3.6Å; D21-K25 PolarHBondContact OD1-NZ 2.73Å; D21-K25 IonicContact OD2-NZ 3.57Å; D21-K25 PolarHBondContact OD2-NZ 2.69Å
22G93.5Very high86.9Confident0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-62.7-45.9174.300000113.5N18 V19 I20 L26N18-G22 PolarHBondContact O-N 2.97Å; N18-G22 VanDerWaalsContact O-N 3.12Å; V19-G22 PolarHBondContact O-N 3.29Å; I20-G22 VanDerWaalsContact C-N 3.28Å; I20-G22 PolarHBondContact O-N 3.48Å; G22-L26 WeakPolarHBondContact O-CB 3.38Å; G22-L26 WeakPolarHBondContact O-CG 3.2Å; G22-L26 PolarHBondContact O-N 3.01Å
23L94.7Very high89.1Confident1 Ų148.7 Ų48.71%0.00524%0.243CC..Hα-helixtrans-61.7-45.6176.8-72.4177000111.9V19 I20 L26 Y27 F53 K291 L292 F295 L391V19-L23 HydrophobicContact CG1-CD1 4.11Å; V19-L23 HydrophobicContact CG1-CG 4.21Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 2.99Å; I20-L23 PolarHBondContact O-N 3Å; L23-L26 PolarHBondContact O-N 3.33Å; L23-Y27 VanDerWaalsContact O-CB 3.3Å; L23-Y27 WeakPolarHBondContact O-CB 3.48Å; L23-Y27 PolarHBondContact O-N 2.92Å; L23-F53 HydrophobicContact CB-CD1 3.87Å; L23-F53 HydrophobicContact CB-CE1 3.99Å; L23-K291 HydrophobicContact CD1-CB 4.13Å; L23-L292 HydrophobicContact CD1-CB 4.41Å; L23-L292 HydrophobicContact CD2-CD1 3.68Å; L23-F295 HydrophobicContact CD2-CB 3.86Å; L23-F295 HydrophobicContact CD2-CD1 3.5Å; L23-F295 VanDerWaalsContact CD2-CD1 3.5Å; L23-F295 HydrophobicContact CD2-CD2 4.39Å; L23-F295 HydrophobicContact CD2-CE1 4.11Å; L23-F295 HydrophobicContact CD2-CG 3.65Å; L23-L391 HydrophobicContact CD2-CD1 3.89Å; L23-L391 HydrophobicContact CG-CD1 4.09Å
24E94.7Very high91.2Very high35 Ų3543.1 Ų43.116%0.16422%0.217CC..Hα-helixtrans-57.8-53.7177.8-173.6-171.9152.500110.6I20 D21 L26 Y27 F28 K50 F53I20-E24 PolarHBondContact O-N 2.76Å; D21-E24 PolarHBondContact O-N 2.73Å; E24-L26 PolarHBondContact O-N 3.13Å; E24-Y27 WeakPolarHBondContact O-CB 3.38Å; E24-Y27 PolarHBondContact O-N 2.77Å; E24-F28 HydrophobicContact CG-CD2 3.84Å; E24-F28 HydrophobicContact CG-CE2 3.73Å; E24-F28 VanDerWaalsContact O-CD2 3.22Å; E24-F28 WeakPolarHBondContact O-CD2 3.34Å; E24-F28 PolarHBondContact O-N 3.01Å; E24-F28 VanDerWaalsContact O-N 3.09Å; E24-K50 WeakPolarHBondContact OE1-CD 3.4Å; E24-K50 IonicContact OE1-NZ 3.92Å; E24-K50 VanDerWaalsContact OE2-CE 3.29Å; E24-K50 WeakPolarHBondContact OE2-CE 3.06Å; E24-K50 IonicContact OE2-NZ 2.77Å; E24-F53 HydrophobicContact CB-CD2 4.37Å; E24-F53 HydrophobicContact CB-CG 4.36Å; E24-F53 HydrophobicContact CG-CD2 4.38Å
25K95.3Very high92.9Very high78 Ų7840.5 Ų40.534%0.33921%0.205SC..Hα-helixtrans-60.4-46.5-179.5-76.2169.4176.6158.20112.1Y16 D21 Y27 K29Y16-K25 HydrophobicContact CD1-CD 4.01Å; Y16-K25 HydrophobicContact CE1-CB 4.35Å; Y16-K25 HydrophobicContact CE1-CD 4.28Å; D21-K25 WeakPolarHBondContact O-CB 3.36Å; D21-K25 WeakPolarHBondContact O-CG 3.35Å; D21-K25 PolarHBondContact O-N 3.3Å; D21-K25 WeakPolarHBondContact OD1-CE 3.36Å; D21-K25 IonicContact OD1-NZ 3.6Å; D21-K25 PolarHBondContact OD1-NZ 2.73Å; D21-K25 IonicContact OD2-NZ 3.57Å; D21-K25 PolarHBondContact OD2-NZ 2.69Å; K25-Y27 VanDerWaalsContact C-N 3.34Å; K25-Y27 PolarHBondContact O-N 3.21Å; K25-K29 WeakPolarHBondContact O-CB 3.44Å; K25-K29 PolarHBondContact O-N 3.1Å
26L96.3Very high94Very high0 Ų039.3 Ų39.30%019%0.194CC..Hα-helixtrans-63.9-40.6178.9-70.1173.8000111.6Y16 G22 L23 E24 K30 L31 F295 M383 E387 L391Y16-L26 WeakPolarHBondContact OH-CD2 3.31Å; G22-L26 WeakPolarHBondContact O-CB 3.38Å; G22-L26 WeakPolarHBondContact O-CG 3.2Å; G22-L26 PolarHBondContact O-N 3.01Å; L23-L26 PolarHBondContact O-N 3.33Å; E24-L26 PolarHBondContact O-N 3.13Å; L26-K30 HydrophobicContact CD2-CG 4.38Å; L26-K30 WeakPolarHBondContact O-CA 3.41Å; L26-K30 VanDerWaalsContact O-CB 3.27Å; L26-K30 WeakPolarHBondContact O-CB 3.47Å; L26-K30 PolarHBondContact O-N 3.36Å; L26-L31 PolarHBondContact O-N 3.46Å; L26-F295 HydrophobicContact CB-CE1 4.39Å; L26-F295 HydrophobicContact CB-CZ 4.03Å; L26-M383 HydrophobicContact CB-CG 4.23Å; L26-M383 HydrophobicContact CB-SD 4Å; L26-M383 HydrophobicContact CD1-CG 4.21Å; L26-M383 HydrophobicContact CD2-CG 4.1Å; L26-M383 HydrophobicContact CG-CG 4.41Å; L26-E387 HydrophobicContact CD1-CB 3.75Å; L26-E387 HydrophobicContact CD2-CB 3.72Å; L26-E387 HydrophobicContact CD2-CG 3.87Å; L26-E387 HydrophobicContact CG-CB 4.38Å; L26-L391 HydrophobicContact CD1-CD1 3.75Å
27Y97.3Very high94.6Very high0 Ų040.9 Ų40.90%020%0.204CC..Iπ-helixtrans-57.6-59.5176.1176.1-105.4000111.4L23 E24 K25 K29 L31 L32 E35 P47 L48 F53 F295L23-Y27 VanDerWaalsContact O-CB 3.3Å; L23-Y27 WeakPolarHBondContact O-CB 3.48Å; L23-Y27 PolarHBondContact O-N 2.92Å; E24-Y27 WeakPolarHBondContact O-CB 3.38Å; E24-Y27 PolarHBondContact O-N 2.77Å; K25-Y27 VanDerWaalsContact C-N 3.34Å; K25-Y27 PolarHBondContact O-N 3.21Å; Y27-K29 VanDerWaalsContact C-N 3.34Å; Y27-K29 PolarHBondContact O-N 3.23Å; Y27-L31 HydrophobicContact CD2-CB 4.19Å; Y27-L31 HydrophobicContact CD2-CD2 4.05Å; Y27-L31 HydrophobicContact CD2-CG 4.32Å; Y27-L31 HydrophobicContact CE2-CD2 4.43Å; Y27-L31 PolarHBondContact O-N 3.47Å; Y27-L31 VanDerWaalsContact O-N 3.08Å; Y27-L32 HydrophobicContact CD1-CB 4.48Å; Y27-L32 HydrophobicContact CE1-CB 4.05Å; Y27-L32 HydrophobicContact CE1-CD1 4.45Å; Y27-L32 HydrophobicContact CE1-CD2 4.21Å; Y27-L32 HydrophobicContact CE1-CG 4.46Å; Y27-L32 HydrophobicContact CE2-CB 4.39Å; Y27-L32 WeakPolarHBondContact O-CB 3.45Å; Y27-L32 PolarHBondContact O-N 3.48Å; Y27-E35 PolarHBondContact OH-OE2 2.99Å; Y27-P47 VanDerWaalsContact OH-CA 3.26Å; Y27-P47 WeakPolarHBondContact OH-CA 3.29Å; Y27-L48 HydrophobicContact CD1-CB 4.29Å; Y27-L48 HydrophobicContact CD2-CD1 4.04Å; Y27-L48 HydrophobicContact CE1-CB 3.8Å; Y27-L48 WeakPolarHBondContact CE1-O 3.35Å; Y27-L48 HydrophobicContact CE2-CB 4.04Å; Y27-L48 HydrophobicContact CE2-CD1 4Å; Y27-L48 HydrophobicContact CE2-CG 4.05Å; Y27-L48 PolarHBondContact OH-N 3.06Å; Y27-F53 HydrophobicContact CD1-CE2 4.02Å; Y27-F53 AromaticContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CD2-CZ 4.33Å; Y27-F53 HydrophobicContact CG-CE2 4.26Å; Y27-F53 AromaticContact CG-CZ 3.65Å; Y27-F53 HydrophobicContact CG-CZ 3.65Å; Y27-F295 HydrophobicContact CD2-CE2 4.09Å; Y27-F295 HydrophobicContact CG-CE2 4.41Å
28F96.8Very high95.4Very high85 Ų8534.5 Ų34.537%0.37317%0.17SC..Iπ-helixtrans-67.2-34.1-174.4-73.1-67.9000112.9E24 L32 F53E24-F28 HydrophobicContact CG-CD2 3.84Å; E24-F28 HydrophobicContact CG-CE2 3.73Å; E24-F28 VanDerWaalsContact O-CD2 3.22Å; E24-F28 WeakPolarHBondContact O-CD2 3.34Å; E24-F28 PolarHBondContact O-N 3.01Å; E24-F28 VanDerWaalsContact O-N 3.09Å; F28-L32 HydrophobicContact CD1-CD2 3.61Å; F28-L32 HydrophobicContact CE1-CD2 4.03Å; F28-F53 HydrophobicContact CE2-CE2 4.41Å
29K96Very high95.8Very high118 Ų11834.3 Ų34.351%0.51317%0.166SC..Iπ-helixtrans-84.7-35.1-175.9-169.1179.7-174.2-175.30113.7E14 K25 Y27E14-K29 VanDerWaalsContact OE1-CD 3.31Å; E14-K29 WeakPolarHBondContact OE1-CD 3.49Å; E14-K29 WeakPolarHBondContact OE1-CE 3.36Å; E14-K29 IonicContact OE1-NZ 3.86Å; E14-K29 PolarHBondContact OE1-NZ 3.41Å; E14-K29 IonicContact OE2-NZ 3.29Å; K25-K29 WeakPolarHBondContact O-CB 3.44Å; K25-K29 PolarHBondContact O-N 3.1Å; Y27-K29 VanDerWaalsContact C-N 3.34Å; Y27-K29 PolarHBondContact O-N 3.23Å
30K96.3Very high96.2Very high49 Ų4934.4 Ų34.421%0.21317%0.166CC..Iπ-helixtrans-117.8-42.5-167.7-58-75.3-174.5162.70112.9L26 A379 M383L26-K30 HydrophobicContact CD2-CG 4.38Å; L26-K30 WeakPolarHBondContact O-CA 3.41Å; L26-K30 VanDerWaalsContact O-CB 3.27Å; L26-K30 WeakPolarHBondContact O-CB 3.47Å; L26-K30 PolarHBondContact O-N 3.36Å; K30-A379 HydrophobicContact CD-CB 3.96Å; K30-M383 HydrophobicContact CB-CB 4.35Å; K30-M383 HydrophobicContact CB-SD 3.82Å
31L97.9Very high96.4Very high0 Ų034.5 Ų34.50%017%0.165CC..Iπ-helixtrans-90.6-50.3-172.8-17555.8000113.3L26 Y27 P33 L34 E35 F295 R298 A299 A302 V380 M383L26-L31 PolarHBondContact O-N 3.46Å; Y27-L31 HydrophobicContact CD2-CB 4.19Å; Y27-L31 HydrophobicContact CD2-CD2 4.05Å; Y27-L31 HydrophobicContact CD2-CG 4.32Å; Y27-L31 HydrophobicContact CE2-CD2 4.43Å; Y27-L31 PolarHBondContact O-N 3.47Å; Y27-L31 VanDerWaalsContact O-N 3.08Å; L31-P33 VanDerWaalsContact C-CD 3.46Å; L31-P33 VanDerWaalsContact C-N 3.34Å; L31-L34 WeakPolarHBondContact O-CA 3.36Å; L31-L34 VanDerWaalsContact O-CB 3.25Å; L31-L34 WeakPolarHBondContact O-CB 3.34Å; L31-L34 PolarHBondContact O-N 3.23Å; L31-E35 HydrophobicContact CD1-CG 4.25Å; L31-E35 WeakPolarHBondContact CD2-OE1 3.44Å; L31-E35 HydrophobicContact CG-CG 4.18Å; L31-E35 WeakPolarHBondContact CG-OE1 3.48Å; L31-E35 PolarHBondContact O-N 3.15Å; L31-F295 HydrophobicContact CD2-CD2 4.38Å; L31-F295 HydrophobicContact CD2-CE2 3.81Å; L31-F295 HydrophobicContact CD2-CZ 4.26Å; L31-R298 HydrophobicContact CD2-CG 4.42Å; L31-A299 HydrophobicContact CD1-CB 4.15Å; L31-A299 HydrophobicContact CD2-CB 3.9Å; L31-A302 HydrophobicContact CD1-CB 3.79Å; L31-V380 HydrophobicContact CD1-CG2 4.27Å; L31-M383 HydrophobicContact CB-CE 4.38Å; L31-M383 HydrophobicContact CB-SD 4.42Å
32L98.1Very high96.4Very high29 Ų2937.7 Ų37.715%0.15218%0.182CC..Hα-helixtrans-55.4-39.3-178.3177.561.7000113.6Y27 F28 L34 E35 N36 P47Y27-L32 HydrophobicContact CD1-CB 4.48Å; Y27-L32 HydrophobicContact CE1-CB 4.05Å; Y27-L32 HydrophobicContact CE1-CD1 4.45Å; Y27-L32 HydrophobicContact CE1-CD2 4.21Å; Y27-L32 HydrophobicContact CE1-CG 4.46Å; Y27-L32 HydrophobicContact CE2-CB 4.39Å; Y27-L32 WeakPolarHBondContact O-CB 3.45Å; Y27-L32 PolarHBondContact O-N 3.48Å; F28-L32 HydrophobicContact CD1-CD2 3.61Å; F28-L32 HydrophobicContact CE1-CD2 4.03Å; L32-L34 VanDerWaalsContact C-N 3.27Å; L32-L34 PolarHBondContact O-N 3.47Å; L32-E35 PolarHBondContact O-N 3.42Å; L32-N36 WeakPolarHBondContact CD1-ND2 3.48Å; L32-N36 WeakPolarHBondContact CG-ND2 3.34Å; L32-N36 WeakPolarHBondContact O-CB 3.4Å; L32-N36 PolarHBondContact O-N 2.8Å; L32-N36 PolarHBondContact O-ND2 3Å; L32-P47 HydrophobicContact CD1-CB 4.25Å
33P98.3Very high96.4Very high48 Ų4838.8 Ų38.831%0.31219%0.187SC..Hα-helixtrans-60.2-35.3174.1-25.836.3000113.5L31 L37 L376L31-P33 VanDerWaalsContact C-CD 3.46Å; L31-P33 VanDerWaalsContact C-N 3.34Å; P33-L37 WeakPolarHBondContact O-CB 3.45Å; P33-L37 PolarHBondContact O-N 3.48Å; P33-L376 HydrophobicContact CB-CD2 4.06Å
34L98.4Very high96.2Very high1 Ų141 Ų411%0.00520%0.197CC..Hα-helixtrans-67.8-50.1173.3-171.883.7000109.9L31 L32 N36 L37 Y38 A302 A306 L376 I377 V380L31-L34 WeakPolarHBondContact O-CA 3.36Å; L31-L34 VanDerWaalsContact O-CB 3.25Å; L31-L34 WeakPolarHBondContact O-CB 3.34Å; L31-L34 PolarHBondContact O-N 3.23Å; L32-L34 VanDerWaalsContact C-N 3.27Å; L32-L34 PolarHBondContact O-N 3.47Å; L34-N36 VanDerWaalsContact C-N 3.34Å; L34-N36 PolarHBondContact O-N 3.45Å; L34-L37 PolarHBondContact O-N 3.26Å; L34-Y38 HydrophobicContact CD1-CD2 3.78Å; L34-Y38 HydrophobicContact CD1-CE2 3.48Å; L34-Y38 VanDerWaalsContact CD1-CE2 3.48Å; L34-Y38 HydrophobicContact CG-CD2 3.99Å; L34-Y38 HydrophobicContact CG-CE2 4.22Å; L34-Y38 VanDerWaalsContact O-CD2 3.29Å; L34-Y38 WeakPolarHBondContact O-CD2 3.1Å; L34-Y38 PolarHBondContact O-N 3.39Å; L34-Y38 VanDerWaalsContact O-N 3.14Å; L34-A302 HydrophobicContact CD2-CB 4.12Å; L34-A306 HydrophobicContact CD1-CB 4.11Å; L34-A306 HydrophobicContact CD2-CB 4.38Å; L34-A306 HydrophobicContact CG-CB 4.34Å; L34-L376 HydrophobicContact CD1-CB 3.73Å; L34-I377 HydrophobicContact CD1-CD1 3.87Å; L34-V380 HydrophobicContact CB-CG2 4.32Å; L34-V380 HydrophobicContact CD2-CG2 3.98Å
35E98.3Very high95.9Very high1 Ų139.8 Ų39.81%0.00519%0.193CC..Hα-helixtrans-56.9-46.7-178.9-69.3-174.7178.500112Y27 L31 L32 K39 F40 H41 R298 A302Y27-E35 PolarHBondContact OH-OE2 2.99Å; L31-E35 HydrophobicContact CD1-CG 4.25Å; L31-E35 WeakPolarHBondContact CD2-OE1 3.44Å; L31-E35 HydrophobicContact CG-CG 4.18Å; L31-E35 WeakPolarHBondContact CG-OE1 3.48Å; L31-E35 PolarHBondContact O-N 3.15Å; L32-E35 PolarHBondContact O-N 3.42Å; E35-K39 PolarHBondContact O-N 2.72Å; E35-F40 HydrophobicContact CB-CB 3.74Å; E35-F40 HydrophobicContact CB-CD1 4.31Å; E35-F40 HydrophobicContact CB-CG 4.16Å; E35-F40 HydrophobicContact CG-CB 4.01Å; E35-F40 HydrophobicContact CG-CD1 4Å; E35-F40 HydrophobicContact CG-CD2 4.47Å; E35-F40 HydrophobicContact CG-CG 3.9Å; E35-F40 WeakPolarHBondContact O-CB 3.24Å; E35-F40 PolarHBondContact O-N 3.48Å; E35-H41 IonicContact OE2-CE1 3.11Å; E35-H41 PolarHBondContact OE2-CE1 3.12Å; E35-H41 IonicContact OE2-NE2 3.91Å; E35-R298 WeakPolarHBondContact OE1-CD 3.27Å; E35-R298 IonicContact OE1-CZ 3.92Å; E35-R298 IonicContact OE1-NE 3.73Å; E35-R298 PolarHBondContact OE1-NE 2.9Å; E35-R298 IonicContact OE1-NH2 2.66Å; E35-R298 IonicContact OE2-CZ 3.11Å; E35-R298 IonicContact OE2-NE 2.97Å; E35-R298 PolarHBondContact OE2-NE 3.07Å; E35-R298 IonicContact OE2-NH2 2.75Å; E35-R298 PolarHBondContact OE2-NH2 3.26Å; E35-A302 HydrophobicContact CG-CB 3.95Å
36N97.9Very high95.7Very high94 Ų9437 Ų3750%0.50318%0.183SC..Hα-helixtrans-62.7-46.6177.6-77.5-30.2000112.7L32 L34 Y38 K39 H41L32-N36 WeakPolarHBondContact CD1-ND2 3.48Å; L32-N36 WeakPolarHBondContact CG-ND2 3.34Å; L32-N36 WeakPolarHBondContact O-CB 3.4Å; L32-N36 PolarHBondContact O-N 2.8Å; L32-N36 PolarHBondContact O-ND2 3Å; L34-N36 VanDerWaalsContact C-N 3.34Å; L34-N36 PolarHBondContact O-N 3.45Å; N36-Y38 PolarHBondContact O-N 3.29Å; N36-K39 PolarHBondContact O-N 3.45Å; N36-H41 PolarHBondContact OD1-NE2 3.15Å
37L97.9Very high95.6Very high52 Ų5239.4 Ų39.427%0.27220%0.198SC..Hα-helixtrans-62.9-44.4-176178.565000111.5P33 L34 K39 P370 Q373 L376P33-L37 WeakPolarHBondContact O-CB 3.45Å; P33-L37 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 3.26Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.01Å; L37-P370 HydrophobicContact CD1-CB 3.93Å; L37-P370 HydrophobicContact CD1-CG 4.38Å; L37-P370 HydrophobicContact CG-CB 4.04Å; L37-P370 HydrophobicContact CG-CG 4.09Å; L37-P370 WeakPolarHBondContact O-CG 3.46Å; L37-Q373 HydrophobicContact CD2-CB 4.2Å; L37-Q373 HydrophobicContact CD2-CG 3.68Å; L37-Q373 VanDerWaalsContact CD2-NE2 3.31Å; L37-L376 HydrophobicContact CB-CD1 4.33Å; L37-L376 HydrophobicContact CD2-CD1 3.47Å; L37-L376 VanDerWaalsContact CD2-CD1 3.47Å
38Y97.8Very high95.4Very high2 Ų240.7 Ų40.71%0.00821%0.205CC..THydrogen-bonded Turntrans-91.113.5-176.8-63.1-78.8000113.6L34 N36 F40 H305 A306 I309 S310 P370 L372 Q373L34-Y38 HydrophobicContact CD1-CD2 3.78Å; L34-Y38 HydrophobicContact CD1-CE2 3.48Å; L34-Y38 VanDerWaalsContact CD1-CE2 3.48Å; L34-Y38 HydrophobicContact CG-CD2 3.99Å; L34-Y38 HydrophobicContact CG-CE2 4.22Å; L34-Y38 VanDerWaalsContact O-CD2 3.29Å; L34-Y38 WeakPolarHBondContact O-CD2 3.1Å; L34-Y38 PolarHBondContact O-N 3.39Å; L34-Y38 VanDerWaalsContact O-N 3.14Å; N36-Y38 PolarHBondContact O-N 3.29Å; Y38-F40 PolarHBondContact O-N 3.02Å; Y38-H305 PolarHBondContact O-NE2 3.21Å; Y38-A306 HydrophobicContact CD1-CB 3.95Å; Y38-A306 HydrophobicContact CD2-CB 3.38Å; Y38-A306 HydrophobicContact CE1-CB 4.16Å; Y38-A306 HydrophobicContact CE2-CB 3.61Å; Y38-A306 HydrophobicContact CG-CB 3.57Å; Y38-I309 HydrophobicContact CD1-CB 4.19Å; Y38-I309 HydrophobicContact CD1-CG2 3.97Å; Y38-S310 WeakPolarHBondContact CE1-OG 3.42Å; Y38-P370 HydrophobicContact CD1-CG 3.37Å; Y38-P370 HydrophobicContact CE1-CB 4.24Å; Y38-P370 HydrophobicContact CE1-CG 3.53Å; Y38-P370 HydrophobicContact CG-CG 4.18Å; Y38-L372 WeakPolarHBondContact OH-CA 3.19Å; Y38-Q373 PolarHBondContact OH-N 3.2Å
39K96.3Very high95.1Very high62 Ų6239.1 Ų39.127%0.2720%0.199SC..THydrogen-bonded Turntrans57.833.4177.7-56.4-176.4176-173.90113.4E35 N36 L37 H41 D42 F43 T368E35-K39 PolarHBondContact O-N 2.72Å; N36-K39 PolarHBondContact O-N 3.45Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.01Å; K39-H41 PolarHBondContact O-N 3.46Å; K39-D42 HydrophobicContact CB-CB 4.38Å; K39-D42 WeakPolarHBondContact O-CB 3.38Å; K39-D42 PolarHBondContact O-N 3.41Å; K39-F43 HydrophobicContact CB-CE2 4.33Å; K39-F43 WeakPolarHBondContact O-CD2 3.41Å; K39-T368 PolarHBondContact NZ-OG1 3.09Å
40F97Very high94.9Very high1 Ų138.3 Ų38.30%0.00420%0.195CC..G310 helixtrans-50.5-39.2-175.4178.2-90.7000113.1E35 Y38 D42 F43 H44 R298 L301 A302 H305E35-F40 HydrophobicContact CB-CB 3.74Å; E35-F40 HydrophobicContact CB-CD1 4.31Å; E35-F40 HydrophobicContact CB-CG 4.16Å; E35-F40 HydrophobicContact CG-CB 4.01Å; E35-F40 HydrophobicContact CG-CD1 4Å; E35-F40 HydrophobicContact CG-CD2 4.47Å; E35-F40 HydrophobicContact CG-CG 3.9Å; E35-F40 WeakPolarHBondContact O-CB 3.24Å; E35-F40 PolarHBondContact O-N 3.48Å; Y38-F40 PolarHBondContact O-N 3.02Å; F40-D42 VanDerWaalsContact C-N 3.25Å; F40-D42 PolarHBondContact O-N 3.2Å; F40-F43 PolarHBondContact O-N 3.42Å; F40-F43 VanDerWaalsContact O-N 3.13Å; F40-H44 HydrophobicContact CD1-CB 4.34Å; F40-H44 AromaticContact CD2-CD2 3.43Å; F40-H44 VanDerWaalsContact CD2-CD2 3.43Å; F40-H44 WeakPolarHBondContact CD2-CD2 3.33Å; F40-H44 HydrophobicContact CE1-CB 3.79Å; F40-H44 HydrophobicContact CE2-CB 4.02Å; F40-H44 AromaticContact CE2-CD2 3.37Å; F40-H44 WeakPolarHBondContact CE2-CD2 3.28Å; F40-H44 AromaticContact CE2-CG 3.84Å; F40-H44 HydrophobicContact CZ-CB 3.62Å; F40-H44 AromaticContact CZ-CD2 3.92Å; F40-H44 AromaticContact CZ-CG 3.96Å; F40-H44 PolarHBondContact O-N 2.88Å; F40-R298 HydrophobicContact CZ-CG 4.3Å; F40-L301 HydrophobicContact CE2-CB 4.47Å; F40-L301 HydrophobicContact CE2-CD2 4.23Å; F40-L301 HydrophobicContact CE2-CG 4Å; F40-L301 HydrophobicContact CZ-CD2 4.15Å; F40-L301 HydrophobicContact CZ-CG 4.39Å; F40-A302 HydrophobicContact CD2-CB 3.79Å; F40-A302 HydrophobicContact CE2-CB 3.78Å; F40-H305 HydrophobicContact CD2-CB 4.28Å
41H93.5Very high94.6Very high41 Ų4136.3 Ų36.319%0.1919%0.188CC..G310 helixtrans-68.7-20.3-177.4-48.3-56.1000114.3E35 N36 K39 F43 S45 P47E35-H41 IonicContact OE2-CE1 3.11Å; E35-H41 PolarHBondContact OE2-CE1 3.12Å; E35-H41 IonicContact OE2-NE2 3.91Å; N36-H41 PolarHBondContact OD1-NE2 3.15Å; K39-H41 PolarHBondContact O-N 3.46Å; H41-F43 VanDerWaalsContact C-N 3.27Å; H41-S45 WeakPolarHBondContact CA-O 3.49Å; H41-S45 PolarHBondContact ND1-O 3.35Å; H41-P47 VanDerWaalsContact CE1-CA 3.49Å; H41-P47 WeakPolarHBondContact CE1-CA 3.43Å; H41-P47 WeakPolarHBondContact ND1-CD 3.47Å
42D92.1Very high94.3Very high94 Ų9437.1 Ų37.150%0.50319%0.192SC..G310 helixtrans-78.9-15.2176.1-61-13.9000111.5K39 F40 H364K39-D42 HydrophobicContact CB-CB 4.38Å; K39-D42 WeakPolarHBondContact O-CB 3.38Å; K39-D42 PolarHBondContact O-N 3.41Å; F40-D42 VanDerWaalsContact C-N 3.25Å; F40-D42 PolarHBondContact O-N 3.2Å; D42-H364 IonicContact OD2-NE2 3.13Å
43F92.9Very high93.9Very high23 Ų2336.2 Ų36.210%0.10119%0.187CC..THydrogen-bonded Turntrans-115.7-34.6-174.3-68.6-93.1000114K39 F40 H41 H305 I309 M357 L361 H364 F369K39-F43 HydrophobicContact CB-CE2 4.33Å; K39-F43 WeakPolarHBondContact O-CD2 3.41Å; F40-F43 PolarHBondContact O-N 3.42Å; F40-F43 VanDerWaalsContact O-N 3.13Å; H41-F43 VanDerWaalsContact C-N 3.27Å; F43-H305 AromaticContact CD2-CE1 3.38Å; F43-H305 WeakPolarHBondContact CD2-CE1 3.19Å; F43-H305 AromaticContact CD2-NE2 3.65Å; F43-H305 AromaticContact CG-CE1 3.42Å; F43-H305 VanDerWaalsContact CG-CE1 3.42Å; F43-H305 WeakPolarHBondContact CG-CE1 3.25Å; F43-I309 HydrophobicContact CE2-CD1 4.06Å; F43-I309 HydrophobicContact CZ-CD1 3.96Å; F43-M357 HydrophobicContact CD1-CE 3.55Å; F43-M357 HydrophobicContact CD1-SD 3.73Å; F43-M357 HydrophobicContact CE1-CE 3.73Å; F43-M357 HydrophobicContact CE1-SD 4.4Å; F43-M357 HydrophobicContact CG-CE 4.26Å; F43-M357 HydrophobicContact CG-SD 4.42Å; F43-L361 HydrophobicContact CE1-CD2 3.66Å; F43-L361 HydrophobicContact CE1-CG 3.94Å; F43-L361 HydrophobicContact CZ-CD2 4.04Å; F43-H364 AromaticContact CE1-ND1 3.98Å; F43-H364 HydrophobicContact CZ-CB 4.43Å; F43-H364 AromaticContact CZ-CE1 3.73Å; F43-H364 AromaticContact CZ-CG 3.78Å; F43-H364 AromaticContact CZ-ND1 3.57Å; F43-F369 HydrophobicContact CZ-CE1 4.4Å; F43-F369 HydrophobicContact CZ-CZ 4.04Å
44H91.1Very high93.5Very high47 Ų4739.5 Ų39.522%0.21820%0.198CC..SBendtrans-120.4-100.8-171.5-52-69.2000110.1F40 L301 H305F40-H44 HydrophobicContact CD1-CB 4.34Å; F40-H44 AromaticContact CD2-CD2 3.43Å; F40-H44 VanDerWaalsContact CD2-CD2 3.43Å; F40-H44 WeakPolarHBondContact CD2-CD2 3.33Å; F40-H44 HydrophobicContact CE1-CB 3.79Å; F40-H44 HydrophobicContact CE2-CB 4.02Å; F40-H44 AromaticContact CE2-CD2 3.37Å; F40-H44 WeakPolarHBondContact CE2-CD2 3.28Å; F40-H44 AromaticContact CE2-CG 3.84Å; F40-H44 HydrophobicContact CZ-CB 3.62Å; F40-H44 AromaticContact CZ-CD2 3.92Å; F40-H44 AromaticContact CZ-CG 3.96Å; F40-H44 PolarHBondContact O-N 2.88Å; H44-L301 HydrophobicContact CB-CD2 4.46Å; H44-H305 AromaticContact CD2-CG 3.97Å; H44-H305 AromaticContact CD2-ND1 3.89Å; H44-H305 AromaticContact NE2-CE1 3.63Å; H44-H305 AromaticContact NE2-CG 3.4Å; H44-H305 AromaticContact NE2-ND1 3.05Å; H44-H305 PolarHBondContact NE2-ND1 3.48Å
45S88.7Confident93.1Very high10 Ų1040.6 Ų40.67%0.0721%0.206CC..  trans-128.4152.6-171.147.40000111.8H41 E178 R298H41-S45 WeakPolarHBondContact CA-O 3.49Å; H41-S45 PolarHBondContact ND1-O 3.35Å; S45-E178 VanDerWaalsContact CB-OE2 3.27Å; S45-E178 WeakPolarHBondContact CB-OE2 3.12Å; S45-R298 PolarHBondContact O-NH2 3.47Å; S45-R298 PolarHBondContact OG-NH1 2.96Å
46P91.1Very high92.7Very high19 Ų1943.9 Ų43.912%0.12322%0.22CC..PPolyproline II helixtrans-61.2164.1-177.626.1-35.3000111.7P122 R298P46-P122 HydrophobicContact CB-CB 4.31Å; P46-P122 HydrophobicContact CG-CB 4.05Å; P46-R298 PolarHBondContact O-NH1 2.89Å; P46-R298 PolarHBondContact O-NH2 3.42Å
47P93.3Very high92.5Very high51 Ų5140 Ų4033%0.33120%0.2SC..PPolyproline II helixtrans-57.8140.6171.4-13.623.7000110.5Y27 L32 H41Y27-P47 VanDerWaalsContact OH-CA 3.26Å; Y27-P47 WeakPolarHBondContact OH-CA 3.29Å; L32-P47 HydrophobicContact CD1-CB 4.25Å; H41-P47 VanDerWaalsContact CE1-CA 3.49Å; H41-P47 WeakPolarHBondContact CE1-CA 3.43Å; H41-P47 WeakPolarHBondContact ND1-CD 3.47Å
48L92.9Very high92.4Very high27 Ų2737.6 Ų37.614%0.14119%0.188CC..PPolyproline II helixtrans-69.9138.8166.3-55.4177.1000110Y27 D52 F53Y27-L48 HydrophobicContact CD1-CB 4.29Å; Y27-L48 HydrophobicContact CD2-CD1 4.04Å; Y27-L48 HydrophobicContact CE1-CB 3.8Å; Y27-L48 WeakPolarHBondContact CE1-O 3.35Å; Y27-L48 HydrophobicContact CE2-CB 4.04Å; Y27-L48 HydrophobicContact CE2-CD1 4Å; Y27-L48 HydrophobicContact CE2-CG 4.05Å; Y27-L48 PolarHBondContact OH-N 3.06Å; L48-D52 WeakPolarHBondContact CA-OD2 3.23Å; L48-D52 HydrophobicContact CB-CB 4.42Å; L48-D52 HydrophobicContact CD2-CB 4.23Å; L48-F53 HydrophobicContact CB-CE2 3.89Å; L48-F53 HydrophobicContact CB-CZ 4Å; L48-F53 HydrophobicContact CD1-CE1 4.21Å; L48-F53 HydrophobicContact CD1-CE2 4.41Å; L48-F53 HydrophobicContact CD1-CZ 3.7Å
49E91.2Very high92.4Very high52 Ų5237.5 Ų37.524%0.24319%0.187CC..PPolyproline II helixtrans-102.9166.5169.7-60.4-168.5173.700109.6S51 D52 F53 R121E49-S51 PolarHBondContact O-N 3.44Å; E49-D52 PolarHBondContact N-OD2 3.02Å; E49-D52 WeakPolarHBondContact O-CB 3.46Å; E49-D52 PolarHBondContact O-N 2.74Å; E49-F53 VanDerWaalsContact O-CD2 3.29Å; E49-F53 WeakPolarHBondContact O-CD2 3.25Å; E49-R121 IonicContact OE1-CZ 3.65Å; E49-R121 IonicContact OE1-NH1 3.34Å; E49-R121 PolarHBondContact OE1-NH1 2.63Å; E49-R121 WeakPolarHBondContact OE2-CD 3.46Å; E49-R121 IonicContact OE2-CZ 2.72Å; E49-R121 IonicContact OE2-NH1 2.9Å; E49-R121 PolarHBondContact OE2-NH1 3.09Å
50K91.2Very high92.5Very high101 Ų10134.6 Ų34.644%0.43917%0.174SC..Hα-helixtrans-54.7-39.1178.9-179.3167.5-179.4152.60112.7E24 D52 F53 E54E24-K50 WeakPolarHBondContact OE1-CD 3.4Å; E24-K50 IonicContact OE1-NZ 3.92Å; E24-K50 VanDerWaalsContact OE2-CE 3.29Å; E24-K50 WeakPolarHBondContact OE2-CE 3.06Å; E24-K50 IonicContact OE2-NZ 2.77Å; K50-D52 PolarHBondContact O-N 3.49Å; K50-F53 PolarHBondContact O-N 3.33Å; K50-E54 WeakPolarHBondContact CE-OE1 3.28Å; K50-E54 IonicContact NZ-OE1 3.08Å; K50-E54 PolarHBondContact O-N 3.47Å
51S90.8Very high92.6Very high8 Ų834.5 Ų34.56%0.05617%0.174CC..Hα-helixtrans-65.6-22179.256.20000114E49 F53 S55 K118E49-S51 PolarHBondContact O-N 3.44Å; S51-F53 VanDerWaalsContact C-N 3.28Å; S51-F53 PolarHBondContact O-N 2.83Å; S51-S55 WeakPolarHBondContact O-CB 3.49Å; S51-S55 PolarHBondContact O-N 3.25Å; S51-K118 PolarHBondContact OG-O 3.48Å
52D90.9Very high92.7Very high16 Ų1632.6 Ų32.69%0.08617%0.165CC..Hα-helixtrans-68-29.4172.7-67.9-75.4000111.2L48 E49 K50 S55 R179L48-D52 WeakPolarHBondContact CA-OD2 3.23Å; L48-D52 HydrophobicContact CB-CB 4.42Å; L48-D52 HydrophobicContact CD2-CB 4.23Å; E49-D52 PolarHBondContact N-OD2 3.02Å; E49-D52 WeakPolarHBondContact O-CB 3.46Å; E49-D52 PolarHBondContact O-N 2.74Å; K50-D52 PolarHBondContact O-N 3.49Å; D52-S55 PolarHBondContact O-OG 3.17Å; D52-R179 IonicContact OD1-CZ 3.63Å; D52-R179 IonicContact OD1-NE 3.26Å; D52-R179 PolarHBondContact OD1-NE 2.96Å; D52-R179 IonicContact OD1-NH2 2.63Å; D52-R179 PolarHBondContact OD1-NH2 3.39Å; D52-R179 VanDerWaalsContact OD1-NH2 3.09Å; D52-R179 IonicContact OD2-NH2 2.79Å
53F91.1Very high92.8Very high10 Ų1028.1 Ų28.14%0.04414%0.141CC..Hα-helixtrans-82.4-32.9179.5-62.2-83.3000112.6I20 L23 E24 Y27 F28 L48 E49 K50 S51 K291I20-F53 HydrophobicContact CG2-CB 3.91Å; I20-F53 WeakPolarHBondContact CG2-O 3.32Å; L23-F53 HydrophobicContact CB-CD1 3.87Å; L23-F53 HydrophobicContact CB-CE1 3.99Å; E24-F53 HydrophobicContact CB-CD2 4.37Å; E24-F53 HydrophobicContact CB-CG 4.36Å; E24-F53 HydrophobicContact CG-CD2 4.38Å; Y27-F53 HydrophobicContact CD1-CE2 4.02Å; Y27-F53 AromaticContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CD1-CZ 3.89Å; Y27-F53 HydrophobicContact CD2-CZ 4.33Å; Y27-F53 HydrophobicContact CG-CE2 4.26Å; Y27-F53 AromaticContact CG-CZ 3.65Å; Y27-F53 HydrophobicContact CG-CZ 3.65Å; F28-F53 HydrophobicContact CE2-CE2 4.41Å; L48-F53 HydrophobicContact CB-CE2 3.89Å; L48-F53 HydrophobicContact CB-CZ 4Å; L48-F53 HydrophobicContact CD1-CE1 4.21Å; L48-F53 HydrophobicContact CD1-CE2 4.41Å; L48-F53 HydrophobicContact CD1-CZ 3.7Å; E49-F53 VanDerWaalsContact O-CD2 3.29Å; E49-F53 WeakPolarHBondContact O-CD2 3.25Å; K50-F53 PolarHBondContact O-N 3.33Å; S51-F53 VanDerWaalsContact C-N 3.28Å; S51-F53 PolarHBondContact O-N 2.83Å; F53-K291 PolarHBondContact O-NZ 3.48Å
54E88.5Confident92.8Very high117 Ų11727.8 Ų27.855%0.54714%0.14SC..Hα-helixtrans-88.8-7.4-176.8-65.4177.3165.400113.5K50K50-E54 WeakPolarHBondContact CE-OE1 3.28Å; K50-E54 IonicContact NZ-OE1 3.08Å; K50-E54 PolarHBondContact O-N 3.47Å
55S90.4Very high92.6Very high24 Ų2428.6 Ų28.617%0.16814%0.142CC..PPolyproline II helixtrans-66.2149.6-173.561.60000114.4S51 D52 Q119 K291S51-S55 WeakPolarHBondContact O-CB 3.49Å; S51-S55 PolarHBondContact O-N 3.25Å; D52-S55 PolarHBondContact O-OG 3.17Å; S55-Q119 VanDerWaalsContact CB-CD 3.42Å; S55-Q119 PolarHBondContact OG-OE1 3.22Å; S55-K291 WeakPolarHBondContact O-CE 3.46Å; S55-K291 PolarHBondContact O-NZ 2.93Å
56K91.2Very high92.6Very high71 Ų7130 Ų3031%0.30915%0.151SC..PPolyproline II helixtrans-70.1152.8172.7-60-175.7-174.6-1680110.5M58 L144 D145K56-M58 PolarHBondContact O-N 3.22Å; K56-L144 PolarHBondContact NZ-O 3.41Å; K56-D145 VanDerWaalsContact CD-O 3.31Å; K56-D145 WeakPolarHBondContact CD-O 3.26Å; K56-D145 VanDerWaalsContact CE-O 3.22Å; K56-D145 WeakPolarHBondContact CE-O 3.39Å; K56-D145 VanDerWaalsContact NZ-C 3.33Å; K56-D145 VanDerWaalsContact NZ-CA 3.34Å; K56-D145 PolarHBondContact NZ-O 3.43Å
57P93.5Very high92.6Very high13 Ų1329.2 Ų29.28%0.08415%0.146CC..PPolyproline II helixtrans-49.2133.6172.3-27.731.4000112.8G146 I147 T148 D181 L283P57-G146 WeakPolarHBondContact CD-O 3.25Å; P57-I147 WeakPolarHBondContact O-CA 3.32Å; P57-T148 PolarHBondContact O-N 2.94Å; P57-D181 WeakPolarHBondContact CA-OD2 3.36Å; P57-D181 HydrophobicContact CB-CB 4.25Å; P57-L283 HydrophobicContact CB-CB 3.99Å; P57-L283 HydrophobicContact CG-CB 4.48Å
58M96.1Very high92.6Very high1 Ų127.4 Ų27.41%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-110.2129.7-174.3-176.4-172-60.500111.4K56 F120 T148 I150 F176 D181 R182K56-M58 PolarHBondContact O-N 3.22Å; M58-F120 HydrophobicContact CE-CE1 4.21Å; M58-T148 CarbonylContact C-O 3.55Å; M58-T148 WeakPolarHBondContact CA-O 3.12Å; M58-I150 HydrophobicContact CE-CD1 4.33Å; M58-I150 HydrophobicContact CE-CG1 4.49Å; M58-I150 HydrophobicContact CG-CD1 4.19Å; M58-I150 HydrophobicContact CG-CG1 3.6Å; M58-I150 HydrophobicContact SD-CD1 3.93Å; M58-I150 HydrophobicContact SD-CG1 3.47Å; M58-I150 WeakPolarHBondContact SD-CG1 3.45Å; M58-F176 HydrophobicContact SD-CD1 3.77Å; M58-F176 HydrophobicContact SD-CE1 4.37Å; M58-D181 PolarHBondContact N-OD2 3.04Å; M58-D181 PolarHBondContact O-N 3.06Å; M58-R182 PolarHBondContact O-N 2.89Å
59V97.8Very high92.7Very high0 Ų026.5 Ų26.50%013%0.132CC..EExtended strand (participates in β ladder)trans-109.8113.1175.2-178.60000109L61 I147 T148 F149 I150 R182 I184 L280 L283V59-L61 HydrophobicContact CG1-CD1 4.12Å; V59-I147 HydrophobicContact CB-CG2 4.34Å; V59-I147 HydrophobicContact CG2-CG2 3.66Å; V59-T148 PolarHBondContact N-O 3.2Å; V59-F149 HydrophobicContact CB-CD1 3.64Å; V59-F149 HydrophobicContact CB-CE1 3.87Å; V59-F149 HydrophobicContact CG1-CD1 3.94Å; V59-F149 HydrophobicContact CG1-CE1 4.05Å; V59-F149 HydrophobicContact CG2-CD1 4.3Å; V59-F149 HydrophobicContact CG2-CE1 4.06Å; V59-F149 CarbonylContact O-C 2.95Å; V59-F149 WeakPolarHBondContact O-CA 3.37Å; V59-I150 PolarHBondContact O-N 2.94Å; V59-R182 WeakPolarHBondContact CA-O 3.34Å; V59-R182 HydrophobicContact CG1-CB 4.39Å; V59-R182 HydrophobicContact CG2-CB 4.31Å; V59-I184 HydrophobicContact CG1-CD1 3.64Å; V59-I184 HydrophobicContact CG1-CG1 3.94Å; V59-L280 HydrophobicContact CG1-CD2 4.35Å; V59-L280 HydrophobicContact CG2-CD2 4.19Å; V59-L283 HydrophobicContact CG2-CD1 3.38Å
60L98.3Very high92.9Very high0 Ų024.5 Ų24.50%012%0.123CC..EExtended strand (participates in β ladder)trans-95120.2-180178.362.9000110.5I62 I150 T152 F176 A177 A180 R182 I183 I184L60-I62 HydrophobicContact CD1-CG1 4.48Å; L60-I62 HydrophobicContact CD2-CD1 3.78Å; L60-I62 HydrophobicContact CD2-CG1 4.21Å; L60-I62 HydrophobicContact CG-CD1 4.03Å; L60-I62 HydrophobicContact CG-CG1 3.9Å; L60-I150 HydrophobicContact CD1-CB 3.71Å; L60-I150 HydrophobicContact CD1-CG1 4.49Å; L60-I150 HydrophobicContact CD1-CG2 3.59Å; L60-T152 HydrophobicContact CD1-CG2 3.52Å; L60-F176 HydrophobicContact CD1-CB 3.88Å; L60-F176 HydrophobicContact CD1-CG 4.32Å; L60-F176 HydrophobicContact CD2-CB 3.76Å; L60-F176 HydrophobicContact CG-CB 4.41Å; L60-A177 HydrophobicContact CD2-CB 4.2Å; L60-A180 HydrophobicContact CB-CB 3.95Å; L60-R182 PolarHBondContact N-O 3.04Å; L60-I183 HydrophobicContact CB-CG1 4.43Å; L60-I183 HydrophobicContact CD2-CG1 4.45Å; L60-I183 HydrophobicContact CD2-CG2 4.45Å; L60-I183 CarbonylContact O-C 3.17Å; L60-I183 WeakPolarHBondContact O-CA 3.38Å; L60-I184 PolarHBondContact O-N 3.48Å
61L98.2Very high93Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-99.5122.4177.9-71.381.2000110.4V59 K69 F72 I73 F149 I150 T152 L186V59-L61 HydrophobicContact CG1-CD1 4.12Å; L61-K69 HydrophobicContact CB-CB 4.28Å; L61-K69 HydrophobicContact CB-CG 4.24Å; L61-K69 HydrophobicContact CD2-CB 4.25Å; L61-K69 WeakPolarHBondContact CD2-O 3.49Å; L61-F72 HydrophobicContact CD2-CB 4.27Å; L61-F72 HydrophobicContact CD2-CD1 3.69Å; L61-F72 HydrophobicContact CD2-CE1 4.47Å; L61-F72 HydrophobicContact CD2-CG 4.34Å; L61-I73 HydrophobicContact CD1-CD1 3.97Å; L61-I73 HydrophobicContact CD1-CG1 3.91Å; L61-I73 HydrophobicContact CD2-CD1 4.01Å; L61-I73 HydrophobicContact CD2-CG1 3.57Å; L61-I73 HydrophobicContact CG-CG1 4.39Å; L61-F149 HydrophobicContact CD1-CB 4.44Å; L61-F149 HydrophobicContact CD1-CD1 4.05Å; L61-I150 PolarHBondContact N-O 3.14Å; L61-T152 WeakPolarHBondContact O-CB 3.44Å; L61-T152 WeakPolarHBondContact O-CG2 3.3Å; L61-T152 PolarHBondContact O-OG1 3.48Å; L61-L186 HydrophobicContact CB-CD1 4.09Å; L61-L186 HydrophobicContact CD2-CD1 3.98Å; L61-L186 HydrophobicContact CG-CD1 4.17Å
62I96.6Very high93.3Very high0 Ų020.7 Ų20.70%011%0.108CC..EExtended strand (participates in β ladder)trans-126.8142.1-179.6-52.5173.6000109L60 I155 I173 I183 I184 L185 L186 F198 V201 L205L60-I62 HydrophobicContact CD1-CG1 4.48Å; L60-I62 HydrophobicContact CD2-CD1 3.78Å; L60-I62 HydrophobicContact CD2-CG1 4.21Å; L60-I62 HydrophobicContact CG-CD1 4.03Å; L60-I62 HydrophobicContact CG-CG1 3.9Å; I62-I155 HydrophobicContact CG2-CD1 3.67Å; I62-I173 HydrophobicContact CD1-CD1 4.23Å; I62-I173 HydrophobicContact CD1-CG2 3.66Å; I62-I173 HydrophobicContact CG1-CD1 4.2Å; I62-I183 HydrophobicContact CD1-CG2 3.74Å; I62-I183 HydrophobicContact CG1-CG2 4.38Å; I62-I184 PolarHBondContact N-O 3.48Å; I62-L185 HydrophobicContact CB-CD2 3.84Å; I62-L185 HydrophobicContact CD1-CD2 4.28Å; I62-L185 HydrophobicContact CG2-CD2 4.3Å; I62-L185 CarbonylContact O-C 3.55Å; I62-L185 WeakPolarHBondContact O-CA 3.49Å; I62-L186 PolarHBondContact O-N 2.94Å; I62-F198 HydrophobicContact CG2-CD2 4.49Å; I62-F198 HydrophobicContact CG2-CE2 3.9Å; I62-V201 HydrophobicContact CD1-CG1 4.49Å; I62-V201 HydrophobicContact CG2-CG1 3.83Å; I62-L205 HydrophobicContact CD1-CD1 3.61Å; I62-L205 HydrophobicContact CD1-CD2 4.18Å; I62-L205 HydrophobicContact CD1-CG 4.49Å
63G94Very high93.6Very high0 Ų019.9 Ų19.90%010%0.103CC..EExtended strand (participates in β ladder)trans172.8165174.100000111.2K69 I155G63-K69 PolarHBondContact O-NZ 3.14Å; G63-I155 PolarHBondContact O-N 3.04Å; G63-I155 VanDerWaalsContact O-N 3.14Å
64Q91.8Very high93.8Very high16 Ų1623.1 Ų23.18%0.07512%0.115CC..BIsolated β-bridgetrans-62.9171.4177.9-70.9-178111.500112.6S66 T67 K69 I155 D193 S195 F198Q64-S66 PolarHBondContact O-N 3.2Å; Q64-T67 HydrophobicContact CB-CG2 4.08Å; Q64-T67 WeakPolarHBondContact O-CG2 3.38Å; Q64-T67 PolarHBondContact O-N 2.98Å; Q64-T67 PolarHBondContact O-OG1 3.29Å; Q64-T67 VanDerWaalsContact O-OG1 3.1Å; Q64-K69 PolarHBondContact O-NZ 2.93Å; Q64-I155 CarbonylContact C-O 3.54Å; Q64-I155 VanDerWaalsContact CA-O 3.24Å; Q64-I155 WeakPolarHBondContact CA-O 3.4Å; Q64-I155 WeakPolarHBondContact CB-O 3.35Å; Q64-I155 HydrophobicContact CG-CB 4.3Å; Q64-D193 PolarHBondContact NE2-O 3.19Å; Q64-D193 PolarHBondContact OE1-O 3.3Å; Q64-S195 PolarHBondContact OE1-OG 3Å; Q64-F198 HydrophobicContact CG-CB 3.94Å; Q64-F198 HydrophobicContact CG-CD1 3.61Å; Q64-F198 HydrophobicContact CG-CE1 4.27Å; Q64-F198 HydrophobicContact CG-CG 3.91Å
65Y87.3Confident94.1Very high65 Ų6519.4 Ų19.426%0.25510%0.096SC..THydrogen-bonded Turntrans-52.8137.8175.3177-110.6000111.7T67 P88 E89 P90 I155 L156Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 3.03Å; Y65-P88 PolarHBondContact OH-O 2.99Å; Y65-E89 VanDerWaalsContact OH-CA 3.31Å; Y65-E89 WeakPolarHBondContact OH-CA 3.32Å; Y65-E89 PolarHBondContact OH-N 3.27Å; Y65-E89 PolarHBondContact OH-O 2.76Å; Y65-P90 HydrophobicContact CD2-CB 4.5Å; Y65-P90 VanDerWaalsContact CE2-CA 3.4Å; Y65-P90 HydrophobicContact CE2-CB 4.14Å; Y65-P90 HydrophobicContact CE2-CG 4.2Å; Y65-I155 PolarHBondContact N-O 3.38Å; Y65-L156 HydrophobicContact CG-CD2 4.41Å
66S87.8Confident94.2Very high38 Ų3818.2 Ų18.227%0.2669%0.088SC..THydrogen-bonded Turntrans62.215.4179.3-74.40000117.3Q64 G68 K218Q64-S66 PolarHBondContact O-N 3.2Å; S66-G68 PolarHBondContact O-N 3.46Å; S66-K218 WeakPolarHBondContact O-CE 3.32Å; S66-K218 PolarHBondContact O-NZ 2.81Å
67T92.5Very high94.4Very high4 Ų415 Ų153%0.0257%0.074CC..SBendtrans-72.8-5.2175.360.10000114.6Q64 Y65 L186 D188 N217Q64-T67 HydrophobicContact CB-CG2 4.08Å; Q64-T67 WeakPolarHBondContact O-CG2 3.38Å; Q64-T67 PolarHBondContact O-N 2.98Å; Q64-T67 PolarHBondContact O-OG1 3.29Å; Q64-T67 VanDerWaalsContact O-OG1 3.1Å; Y65-T67 VanDerWaalsContact C-N 3.27Å; Y65-T67 PolarHBondContact O-N 3.03Å; T67-L186 WeakPolarHBondContact CB-O 3.42Å; T67-L186 WeakPolarHBondContact CG2-O 3.37Å; T67-L186 PolarHBondContact OG1-O 2.99Å; T67-D188 HydrophobicContact CG2-CB 4.25Å; T67-N217 PolarHBondContact O-ND2 2.79Å
68G93.1Very high94.3Very high12 Ų1217 Ų1712%0.12410%0.097CC..SBendtrans92.223174.300000115.7S66 T71 F72S66-G68 PolarHBondContact O-N 3.46Å; G68-T71 PolarHBondContact O-N 3.22Å; G68-F72 VanDerWaalsContact O-CB 3.23Å; G68-F72 WeakPolarHBondContact O-CB 3.27Å; G68-F72 PolarHBondContact O-N 3.03Å
69K95Very high94.1Very high9 Ų921 Ų214%0.03912%0.116CC..Hα-helixtrans-51.6-57.6177.2-64.1176.5-71.6-65.10112.9L61 G63 Q64 T71 F72 I73 D151 T152 L186L61-K69 HydrophobicContact CB-CB 4.28Å; L61-K69 HydrophobicContact CB-CG 4.24Å; L61-K69 HydrophobicContact CD2-CB 4.25Å; L61-K69 WeakPolarHBondContact CD2-O 3.49Å; G63-K69 PolarHBondContact O-NZ 3.14Å; Q64-K69 PolarHBondContact O-NZ 2.93Å; K69-T71 PolarHBondContact O-N 2.9Å; K69-F72 WeakPolarHBondContact O-CB 3.32Å; K69-F72 PolarHBondContact O-N 2.97Å; K69-F72 VanDerWaalsContact O-N 3.16Å; K69-I73 PolarHBondContact O-N 2.88Å; K69-D151 VanDerWaalsContact CB-OD1 3.28Å; K69-D151 WeakPolarHBondContact CB-OD1 3.46Å; K69-T152 WeakPolarHBondContact CE-O 3.25Å; K69-L186 HydrophobicContact CG-CD1 4.06Å
70T94.8Very high94Very high10 Ų1025 Ų256%0.06114%0.138CC..Hα-helixtrans-60.3-43.2-180-48.80000112.2F72 I73 R74 F81 I84 I86 T92 D151T70-F72 VanDerWaalsContact C-N 3.33Å; T70-F72 PolarHBondContact O-N 3.47Å; T70-I73 PolarHBondContact O-N 2.72Å; T70-R74 PolarHBondContact O-N 2.72Å; T70-F81 HydrophobicContact CG2-CE1 4.36Å; T70-F81 HydrophobicContact CG2-CZ 3.94Å; T70-I84 HydrophobicContact CG2-CD1 3.94Å; T70-I84 HydrophobicContact CG2-CG1 3.47Å; T70-I84 VanDerWaalsContact CG2-CG1 3.47Å; T70-I86 HydrophobicContact CG2-CD1 4.23Å; T70-I86 HydrophobicContact CG2-CG1 3.74Å; T70-T92 PolarHBondContact OG1-OG1 3.47Å; T70-T92 VanDerWaalsContact OG1-OG1 3.04Å; T70-D151 WeakPolarHBondContact CA-OD2 3.36Å; T70-D151 VanDerWaalsContact CB-OD2 3.27Å; T70-D151 WeakPolarHBondContact CB-OD2 3.49Å; T70-D151 PolarHBondContact OG1-OD2 3.42Å
71T94.3Very high93.8Very high28 Ų2825.2 Ų25.217%0.17214%0.139CC..Hα-helixtrans-67-35.1177.3-46.80000111.9G68 K69 R74 Y75 W256G68-T71 PolarHBondContact O-N 3.22Å; K69-T71 PolarHBondContact O-N 2.9Å; T71-R74 PolarHBondContact O-N 3.12Å; T71-Y75 VanDerWaalsContact O-CB 3.27Å; T71-Y75 WeakPolarHBondContact O-CB 3.25Å; T71-Y75 PolarHBondContact O-N 3.5Å; T71-W256 HydrophobicContact CG2-CB 3.77Å
72F96.6Very high93.7Very high0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-64.2-43.4175.5-176.4-86.5000111.2L61 G68 K69 T70 Y75 L76 I184 L186 V215 F255 L276L61-F72 HydrophobicContact CD2-CB 4.27Å; L61-F72 HydrophobicContact CD2-CD1 3.69Å; L61-F72 HydrophobicContact CD2-CE1 4.47Å; L61-F72 HydrophobicContact CD2-CG 4.34Å; G68-F72 VanDerWaalsContact O-CB 3.23Å; G68-F72 WeakPolarHBondContact O-CB 3.27Å; G68-F72 PolarHBondContact O-N 3.03Å; K69-F72 WeakPolarHBondContact O-CB 3.32Å; K69-F72 PolarHBondContact O-N 2.97Å; K69-F72 VanDerWaalsContact O-N 3.16Å; T70-F72 VanDerWaalsContact C-N 3.33Å; T70-F72 PolarHBondContact O-N 3.47Å; F72-Y75 PolarHBondContact O-N 3.31Å; F72-L76 HydrophobicContact CD1-CD1 3.82Å; F72-L76 HydrophobicContact CD1-CG 4.16Å; F72-L76 HydrophobicContact CE1-CD1 3.36Å; F72-L76 HydrophobicContact CE1-CD2 4.45Å; F72-L76 HydrophobicContact CE1-CG 3.92Å; F72-L76 HydrophobicContact CZ-CD1 4.1Å; F72-L76 HydrophobicContact CZ-CD2 4.46Å; F72-L76 HydrophobicContact CZ-CG 4.37Å; F72-L76 WeakPolarHBondContact O-CG 3.42Å; F72-L76 PolarHBondContact O-N 2.98Å; F72-I184 HydrophobicContact CE1-CD1 3.76Å; F72-I184 HydrophobicContact CZ-CD1 4.14Å; F72-L186 HydrophobicContact CB-CD2 4.05Å; F72-L186 HydrophobicContact CD2-CD2 4.19Å; F72-L186 HydrophobicContact CG-CD2 4.18Å; F72-V215 HydrophobicContact CE2-CG1 4.49Å; F72-F255 HydrophobicContact CB-CB 4.5Å; F72-F255 HydrophobicContact CD2-CB 3.47Å; F72-F255 VanDerWaalsContact CD2-CB 3.47Å; F72-F255 AromaticContact CD2-CD1 3.93Å; F72-F255 HydrophobicContact CD2-CD1 3.93Å; F72-F255 AromaticContact CD2-CD2 3.59Å; F72-F255 HydrophobicContact CD2-CD2 3.59Å; F72-F255 HydrophobicContact CD2-CE2 4.33Å; F72-F255 AromaticContact CD2-CG 3.37Å; F72-F255 HydrophobicContact CD2-CG 3.37Å; F72-F255 HydrophobicContact CE2-CB 4.07Å; F72-F255 AromaticContact CE2-CD1 3.58Å; F72-F255 HydrophobicContact CE2-CD1 3.58Å; F72-F255 AromaticContact CE2-CD2 3.64Å; F72-F255 HydrophobicContact CE2-CD2 3.64Å; F72-F255 AromaticContact CE2-CE1 3.86Å; F72-F255 HydrophobicContact CE2-CE1 3.86Å; F72-F255 AromaticContact CE2-CE2 3.95Å; F72-F255 HydrophobicContact CE2-CE2 3.95Å; F72-F255 AromaticContact CE2-CG 3.47Å; F72-F255 HydrophobicContact CE2-CG 3.47Å; F72-F255 VanDerWaalsContact CE2-CG 3.47Å; F72-F255 HydrophobicContact CE2-CZ 4.05Å; F72-F255 HydrophobicContact CG-CB 4.33Å; F72-L276 HydrophobicContact CE2-CD2 3.81Å; F72-L276 HydrophobicContact CZ-CD2 3.68Å; F72-L276 HydrophobicContact CZ-CG 4.49Å
73I96.4Very high93.4Very high0 Ų028.5 Ų28.50%017%0.167CC..Hα-helixtrans-62-50.3174.9-63.2169.8000110.3L61 K69 T70 Y75 L76 I77 F81 V98 F149 D151L61-I73 HydrophobicContact CD1-CD1 3.97Å; L61-I73 HydrophobicContact CD1-CG1 3.91Å; L61-I73 HydrophobicContact CD2-CD1 4.01Å; L61-I73 HydrophobicContact CD2-CG1 3.57Å; L61-I73 HydrophobicContact CG-CG1 4.39Å; K69-I73 PolarHBondContact O-N 2.88Å; T70-I73 PolarHBondContact O-N 2.72Å; I73-Y75 VanDerWaalsContact C-N 3.27Å; I73-Y75 PolarHBondContact O-N 3.26Å; I73-L76 WeakPolarHBondContact O-CB 3.44Å; I73-L76 PolarHBondContact O-N 3.12Å; I73-L76 VanDerWaalsContact O-N 3.1Å; I73-I77 HydrophobicContact CG2-CD1 4.48Å; I73-I77 HydrophobicContact CG2-CG2 4.42Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.14Å; I73-F81 HydrophobicContact CB-CE1 4.1Å; I73-F81 HydrophobicContact CG2-CD1 4.09Å; I73-F81 HydrophobicContact CG2-CE1 3.74Å; I73-V98 HydrophobicContact CG2-CG2 4.34Å; I73-F149 HydrophobicContact CD1-CB 4.12Å; I73-F149 HydrophobicContact CG1-CB 4.23Å; I73-F149 HydrophobicContact CG1-CG 4.48Å; I73-F149 HydrophobicContact CG2-CB 4.23Å; I73-F149 HydrophobicContact CG2-CD2 4.37Å; I73-F149 HydrophobicContact CG2-CG 4.33Å; I73-D151 HydrophobicContact CD1-CB 3.46Å; I73-D151 VanDerWaalsContact CD1-CB 3.46Å
74R95.1Very high93.2Very high77 Ų7730.3 Ų30.329%0.29118%0.176SC..Hα-helixtrans-53-46.2175.4178.5-163.6155.9136.2-5.5111.4T70 T71 L76 I77 G78 E79 D80 I84 D257T70-R74 PolarHBondContact O-N 2.72Å; T71-R74 PolarHBondContact O-N 3.12Å; R74-L76 PolarHBondContact O-N 3.21Å; R74-I77 PolarHBondContact O-N 3.36Å; R74-G78 WeakPolarHBondContact O-CA 3.44Å; R74-G78 PolarHBondContact O-N 3Å; R74-E79 WeakPolarHBondContact CG-O 3.33Å; R74-E79 PolarHBondContact O-N 2.71Å; R74-D80 WeakPolarHBondContact CD-OD1 3.31Å; R74-D80 IonicContact CZ-OD1 2.82Å; R74-D80 VanDerWaalsContact CZ-OD1 3.29Å; R74-D80 IonicContact NE-OD1 2.85Å; R74-D80 PolarHBondContact NE-OD1 3.47Å; R74-D80 IonicContact NH1-OD1 3.39Å; R74-D80 PolarHBondContact NH1-OD1 3.38Å; R74-D80 IonicContact NH1-OD2 3.69Å; R74-D80 PolarHBondContact NH1-OD2 3.18Å; R74-I84 HydrophobicContact CB-CD1 4.01Å; R74-I84 HydrophobicContact CG-CD1 4.34Å; R74-D257 IonicContact NE-OD2 3.48Å; R74-D257 IonicContact NH2-OD2 3.53Å
75Y94.6Very high92.8Very high39 Ų3936.3 Ų36.315%0.15320%0.198CC..Hα-helixtrans-61.4-43.2178.4-177.5-99.8000111.5T71 F72 I73 F255 D257 K273 F277 A414T71-Y75 VanDerWaalsContact O-CB 3.27Å; T71-Y75 WeakPolarHBondContact O-CB 3.25Å; T71-Y75 PolarHBondContact O-N 3.5Å; F72-Y75 PolarHBondContact O-N 3.31Å; I73-Y75 VanDerWaalsContact C-N 3.27Å; I73-Y75 PolarHBondContact O-N 3.26Å; Y75-F255 HydrophobicContact CD1-CB 3.83Å; Y75-F255 AromaticContact CD1-CD1 3.91Å; Y75-F255 HydrophobicContact CD1-CD1 3.91Å; Y75-F255 HydrophobicContact CD1-CG 4.38Å; Y75-F255 HydrophobicContact CE1-CB 4.33Å; Y75-F255 AromaticContact CE1-CD1 3.81Å; Y75-F255 HydrophobicContact CE1-CD1 3.81Å; Y75-F255 HydrophobicContact CG-CB 4.14Å; Y75-D257 WeakPolarHBondContact CD2-OD1 3.39Å; Y75-K273 HydrophobicContact CE1-CD 4.24Å; Y75-K273 WeakPolarHBondContact OH-CD 3.38Å; Y75-F277 AromaticContact CD1-CZ 3.98Å; Y75-F277 HydrophobicContact CD1-CZ 3.98Å; Y75-F277 HydrophobicContact CE1-CE1 4.47Å; Y75-F277 HydrophobicContact CE1-CE2 4.3Å; Y75-F277 AromaticContact CE1-CZ 3.57Å; Y75-F277 HydrophobicContact CE1-CZ 3.57Å; Y75-A414 HydrophobicContact CD1-CB 4.45Å; Y75-A414 HydrophobicContact CE1-CB 4.29Å; Y75-A414 VanDerWaalsContact O-CB 3.29Å; Y75-A414 WeakPolarHBondContact O-CB 3.37Å
76L94.5Very high92.4Very high0 Ų036.9 Ų36.90%021%0.205CC..Hα-helixtrans-63.9-46.9177.2-72.8-176.8000112.9F72 I73 R74 F149 F277 L280 G413 A414 F415F72-L76 HydrophobicContact CD1-CD1 3.82Å; F72-L76 HydrophobicContact CD1-CG 4.16Å; F72-L76 HydrophobicContact CE1-CD1 3.36Å; F72-L76 HydrophobicContact CE1-CD2 4.45Å; F72-L76 HydrophobicContact CE1-CG 3.92Å; F72-L76 HydrophobicContact CZ-CD1 4.1Å; F72-L76 HydrophobicContact CZ-CD2 4.46Å; F72-L76 HydrophobicContact CZ-CG 4.37Å; F72-L76 WeakPolarHBondContact O-CG 3.42Å; F72-L76 PolarHBondContact O-N 2.98Å; I73-L76 WeakPolarHBondContact O-CB 3.44Å; I73-L76 PolarHBondContact O-N 3.12Å; I73-L76 VanDerWaalsContact O-N 3.1Å; R74-L76 PolarHBondContact O-N 3.21Å; L76-F149 HydrophobicContact CB-CZ 4.43Å; L76-F149 HydrophobicContact CD1-CD1 4.46Å; L76-F149 HydrophobicContact CD1-CE1 3.54Å; L76-F149 HydrophobicContact CD1-CZ 3.67Å; L76-F277 HydrophobicContact CD2-CD1 3.94Å; L76-F277 HydrophobicContact CD2-CE1 3.24Å; L76-F277 HydrophobicContact CD2-CE2 4.38Å; L76-F277 HydrophobicContact CD2-CZ 3.47Å; L76-F277 VanDerWaalsContact CD2-CZ 3.47Å; L76-L280 HydrophobicContact CD1-CD1 3.91Å; L76-L280 HydrophobicContact CD2-CD1 4.37Å; L76-G413 WeakPolarHBondContact O-CA 3.46Å; L76-A414 PolarHBondContact O-N 3.2Å; L76-F415 HydrophobicContact CB-CE2 4.27Å; L76-F415 HydrophobicContact CD2-CE2 4.01Å; L76-F415 HydrophobicContact CD2-CZ 3.84Å
77I94.4Very high91.9Very high3 Ų336 Ų362%0.01520%0.203CC..Hα-helixtrans-80.6-18.2-176.371.4-180000113I73 R74 E79 F81 M139 N141 V143 L144 F149 G413I73-I77 HydrophobicContact CG2-CD1 4.48Å; I73-I77 HydrophobicContact CG2-CG2 4.42Å; I73-I77 WeakPolarHBondContact O-CG1 3.43Å; I73-I77 PolarHBondContact O-N 3.14Å; R74-I77 PolarHBondContact O-N 3.36Å; I77-E79 WeakPolarHBondContact CD1-O 3.49Å; I77-E79 HydrophobicContact CG1-CG 4.37Å; I77-E79 VanDerWaalsContact CG1-O 3.28Å; I77-E79 WeakPolarHBondContact CG1-O 3.49Å; I77-F81 HydrophobicContact CD1-CB 4.03Å; I77-F81 HydrophobicContact CD1-CD1 3.82Å; I77-F81 HydrophobicContact CD1-CG 4.41Å; I77-M139 HydrophobicContact CD1-SD 4.27Å; I77-N141 PolarHBondContact O-ND2 3.36Å; I77-N141 VanDerWaalsContact O-ND2 3.08Å; I77-V143 HydrophobicContact CG2-CB 4.32Å; I77-V143 HydrophobicContact CG2-CG1 4.23Å; I77-L144 HydrophobicContact CG2-CD2 4Å; I77-L144 HydrophobicContact CG2-CG 4.33Å; I77-F149 HydrophobicContact CG2-CD2 4.33Å; I77-F149 HydrophobicContact CG2-CE2 4.07Å; I77-G413 WeakPolarHBondContact O-CA 3.38Å
78G91Very high90.7Very high55 Ų5541.5 Ų41.557%0.56724%0.238SC*.THydrogen-bonded Turntrans85.72.3176.400000115.4R74R74-G78 WeakPolarHBondContact O-CA 3.44Å; R74-G78 PolarHBondContact O-N 3Å
79E92.4Very high89.5Confident86 Ų8645 Ų4540%0.40225%0.251SS..SBendtrans-155.8168.8-175.860.6-177.3141.600112.4R74 I77 M139 N141R74-E79 WeakPolarHBondContact CG-O 3.33Å; R74-E79 PolarHBondContact O-N 2.71Å; I77-E79 WeakPolarHBondContact CD1-O 3.49Å; I77-E79 HydrophobicContact CG1-CG 4.37Å; I77-E79 VanDerWaalsContact CG1-O 3.28Å; I77-E79 WeakPolarHBondContact CG1-O 3.49Å; E79-M139 HydrophobicContact CG-CE 3.63Å; E79-M139 WeakPolarHBondContact OE1-CE 3.41Å; E79-M139 WeakPolarHBondContact OE2-CE 3.41Å; E79-N141 PolarHBondContact OE1-ND2 3.32Å
80D94.8Very high88.1Confident84 Ų8449 Ų4945%0.44928%0.278SS..PPolyproline II helixtrans-77.3131.9175.8-79.5-17.1000110.5R74 I84R74-D80 WeakPolarHBondContact CD-OD1 3.31Å; R74-D80 IonicContact CZ-OD1 2.82Å; R74-D80 VanDerWaalsContact CZ-OD1 3.29Å; R74-D80 IonicContact NE-OD1 2.85Å; R74-D80 PolarHBondContact NE-OD1 3.47Å; R74-D80 IonicContact NH1-OD1 3.39Å; R74-D80 PolarHBondContact NH1-OD1 3.38Å; R74-D80 IonicContact NH1-OD2 3.69Å; R74-D80 PolarHBondContact NH1-OD2 3.18Å; D80-I84 HydrophobicContact CB-CG2 3.87Å
81F95.7Very high86.6Confident4 Ų449.4 Ų49.42%0.01828%0.281CS..PPolyproline II helixtrans-94.7156.5175.458.5-95.7000112.2T70 I73 I77 G83 I84 I96 V98 A137 M139T70-F81 HydrophobicContact CG2-CE1 4.36Å; T70-F81 HydrophobicContact CG2-CZ 3.94Å; I73-F81 HydrophobicContact CB-CE1 4.1Å; I73-F81 HydrophobicContact CG2-CD1 4.09Å; I73-F81 HydrophobicContact CG2-CE1 3.74Å; I77-F81 HydrophobicContact CD1-CB 4.03Å; I77-F81 HydrophobicContact CD1-CD1 3.82Å; I77-F81 HydrophobicContact CD1-CG 4.41Å; F81-G83 PolarHBondContact O-N 3.31Å; F81-I84 HydrophobicContact CD1-CB 4.43Å; F81-I84 HydrophobicContact CD1-CD1 3.87Å; F81-I84 HydrophobicContact CD1-CG1 4.35Å; F81-I84 HydrophobicContact CD2-CB 4.01Å; F81-I84 HydrophobicContact CE1-CB 4.35Å; F81-I84 HydrophobicContact CE1-CD1 3.6Å; F81-I84 HydrophobicContact CE1-CG1 3.91Å; F81-I84 HydrophobicContact CE2-CB 3.92Å; F81-I84 HydrophobicContact CE2-CG1 4.13Å; F81-I84 HydrophobicContact CG-CB 4.28Å; F81-I84 HydrophobicContact CZ-CB 4.12Å; F81-I84 HydrophobicContact CZ-CD1 4.05Å; F81-I84 HydrophobicContact CZ-CG1 3.81Å; F81-I84 WeakPolarHBondContact O-CB 3.35Å; F81-I84 WeakPolarHBondContact O-CG2 3.44Å; F81-I84 PolarHBondContact O-N 3.38Å; F81-I84 VanDerWaalsContact O-N 3.09Å; F81-I96 HydrophobicContact CE2-CD1 4.17Å; F81-I96 HydrophobicContact CE2-CG2 4.13Å; F81-V98 HydrophobicContact CB-CG1 4.08Å; F81-V98 HydrophobicContact CD1-CG1 4.42Å; F81-V98 HydrophobicContact CD1-CG2 4.36Å; F81-V98 HydrophobicContact CD2-CG2 3.96Å; F81-V98 HydrophobicContact CE1-CG2 4.32Å; F81-V98 HydrophobicContact CE2-CG2 3.92Å; F81-V98 HydrophobicContact CG-CG1 4.13Å; F81-V98 HydrophobicContact CG-CG2 4.17Å; F81-V98 HydrophobicContact CZ-CG2 4.09Å; F81-A137 HydrophobicContact CD2-CB 3.92Å; F81-M139 HydrophobicContact CB-SD 3.59Å; F81-M139 VanDerWaalsContact CB-SD 3.59Å
82P95.6Very high85.4Confident28 Ų2849.2 Ų49.218%0.18228%0.28CS..THydrogen-bonded Turntrans-55.4130.5-179.3-28.336.3000113.5I84 G105 I106 A137P82-I84 VanDerWaalsContact C-N 3.27Å; P82-I84 PolarHBondContact O-N 2.65Å; P82-G105 WeakPolarHBondContact CB-O 3.09Å; P82-I106 HydrophobicContact CB-CD1 4.32Å; P82-I106 HydrophobicContact CB-CG1 3.7Å; P82-A137 HydrophobicContact CB-CB 4.43Å; P82-A137 WeakPolarHBondContact O-CB 3.25Å
83G89.1Confident84.6Confident41 Ų4153.3 Ų53.342%0.42330%0.301SS..THydrogen-bonded Turntrans79.35.9179.500000114.5F81 R85F81-G83 PolarHBondContact O-N 3.31Å; G83-R85 PolarHBondContact O-N 3.05Å
84I90.3Very high84.4Confident37 Ų3754 Ų5419%0.1931%0.306CS..  trans-59.5134.1173.7-164.2174.3000110.8T70 R74 D80 F81 P82 I86T70-I84 HydrophobicContact CG2-CD1 3.94Å; T70-I84 HydrophobicContact CG2-CG1 3.47Å; T70-I84 VanDerWaalsContact CG2-CG1 3.47Å; R74-I84 HydrophobicContact CB-CD1 4.01Å; R74-I84 HydrophobicContact CG-CD1 4.34Å; D80-I84 HydrophobicContact CB-CG2 3.87Å; F81-I84 HydrophobicContact CD1-CB 4.43Å; F81-I84 HydrophobicContact CD1-CD1 3.87Å; F81-I84 HydrophobicContact CD1-CG1 4.35Å; F81-I84 HydrophobicContact CD2-CB 4.01Å; F81-I84 HydrophobicContact CE1-CB 4.35Å; F81-I84 HydrophobicContact CE1-CD1 3.6Å; F81-I84 HydrophobicContact CE1-CG1 3.91Å; F81-I84 HydrophobicContact CE2-CB 3.92Å; F81-I84 HydrophobicContact CE2-CG1 4.13Å; F81-I84 HydrophobicContact CG-CB 4.28Å; F81-I84 HydrophobicContact CZ-CB 4.12Å; F81-I84 HydrophobicContact CZ-CD1 4.05Å; F81-I84 HydrophobicContact CZ-CG1 3.81Å; F81-I84 WeakPolarHBondContact O-CB 3.35Å; F81-I84 WeakPolarHBondContact O-CG2 3.44Å; F81-I84 PolarHBondContact O-N 3.38Å; F81-I84 VanDerWaalsContact O-N 3.09Å; P82-I84 VanDerWaalsContact C-N 3.27Å; P82-I84 PolarHBondContact O-N 2.65Å; I84-I86 HydrophobicContact CD1-CD1 3.85Å; I84-I86 HydrophobicContact CD1-CG1 4.34Å; I84-I86 HydrophobicContact CG1-CD1 4.25Å; I84-I86 HydrophobicContact CG1-CG1 4.19Å
85R82.9Confident84.4Confident142 Ų14250.4 Ų50.454%0.53629%0.293SS..  trans-138.3113.5172.4-166.2-177.2170.8-178.5-4.7109.8G83 E89 T91G83-R85 PolarHBondContact O-N 3.05Å; R85-E89 IonicContact NH2-OE1 3.96Å; R85-E89 PolarHBondContact NH2-OE1 3.46Å; R85-T91 HydrophobicContact CG-CG2 3.92Å; R85-T91 WeakPolarHBondContact O-CB 3.09Å; R85-T91 PolarHBondContact O-OG1 3.21Å
86I79.9Confident84.6Confident77 Ų7748.9 Ų48.940%0.39529%0.287SS..  trans-116.9124.3177.5-60.1169.1000107.9T70 I84T70-I86 HydrophobicContact CG2-CD1 4.23Å; T70-I86 HydrophobicContact CG2-CG1 3.74Å; I84-I86 HydrophobicContact CD1-CD1 3.85Å; I84-I86 HydrophobicContact CD1-CG1 4.34Å; I84-I86 HydrophobicContact CG1-CD1 4.25Å; I84-I86 HydrophobicContact CG1-CG1 4.19Å
87G76.7Confident84.7Confident21 Ų2148.9 Ų48.922%0.21629%0.287CS..  trans-162.3164.3-179.300000111.9E89 T91G87-E89 PolarHBondContact O-N 2.83Å; G87-T91 VanDerWaalsContact N-CG2 3.28Å
88P68.3Low84.9Confident118 Ų11848.7 Ų48.777%0.76629%0.286SS*.SBendtrans-73-12.7176.331.9-36.7000113.5Y65Y65-P88 PolarHBondContact OH-O 2.99Å
89E68Low85.2Confident87 Ų8747 Ų4741%0.40726%0.264SS..SBendtrans-90163169.668.7-85.6-171.200112.7Y65 R85 G87 T91Y65-E89 VanDerWaalsContact OH-CA 3.31Å; Y65-E89 WeakPolarHBondContact OH-CA 3.32Å; Y65-E89 PolarHBondContact OH-N 3.27Å; Y65-E89 PolarHBondContact OH-O 2.76Å; R85-E89 IonicContact NH2-OE1 3.96Å; R85-E89 PolarHBondContact NH2-OE1 3.46Å; G87-E89 PolarHBondContact O-N 2.83Å; E89-T91 HydrophobicContact CG-CG2 4.16Å; E89-T91 VanDerWaalsContact O-CG2 3.26Å; E89-T91 WeakPolarHBondContact O-CG2 3.36Å; E89-T91 PolarHBondContact O-N 3.27Å
90P64.3Low85.3Confident92 Ų9245 Ų4560%0.59726%0.256SS*.  trans-54.698.4171.8-26.736.4000111.8Y65Y65-P90 HydrophobicContact CD2-CB 4.5Å; Y65-P90 VanDerWaalsContact CE2-CA 3.4Å; Y65-P90 HydrophobicContact CE2-CB 4.14Å; Y65-P90 HydrophobicContact CE2-CG 4.2Å
91T63.7Low85.3Confident19 Ų1943.8 Ų43.812%0.11725%0.249CC..  trans-98.3-43.3-174.555.70000113.7R85 G87 E89 D93R85-T91 HydrophobicContact CG-CG2 3.92Å; R85-T91 WeakPolarHBondContact O-CB 3.09Å; R85-T91 PolarHBondContact O-OG1 3.21Å; G87-T91 VanDerWaalsContact N-CG2 3.28Å; E89-T91 HydrophobicContact CG-CG2 4.16Å; E89-T91 VanDerWaalsContact O-CG2 3.26Å; E89-T91 WeakPolarHBondContact O-CG2 3.36Å; E89-T91 PolarHBondContact O-N 3.27Å; T91-D93 PolarHBondContact O-N 3.08Å
92T69Low85.2Confident24 Ų2448 Ų4815%0.14728%0.284CS..  trans-93.995.8-179.9-45.10000109.5T70 S94 P153T70-T92 PolarHBondContact OG1-OG1 3.47Å; T70-T92 VanDerWaalsContact OG1-OG1 3.04Å; T92-S94 WeakPolarHBondContact CG2-O 3.47Å; T92-P153 VanDerWaalsContact O-CA 3.31Å; T92-P153 WeakPolarHBondContact O-CA 3.27Å
93D81.1Confident85Confident86 Ų8656.1 Ų56.146%0.4631%0.312SS..  trans-100.7-4.8176.371.6-15.3000113.3T91 R133T91-D93 PolarHBondContact O-N 3.08Å; D93-R133 VanDerWaalsContact O-CD 3.3Å; D93-R133 WeakPolarHBondContact O-CD 3.33Å
94S91Very high85.3Confident15 Ų1558 Ų5811%0.10532%0.318CS..SBendtrans-122.2148.9-173.3-610000111.8T92 R133T92-S94 WeakPolarHBondContact CG2-O 3.47Å; S94-R133 CarbonylContact C-O 3.42Å; S94-R133 WeakPolarHBondContact CA-O 3.43Å; S94-R133 WeakPolarHBondContact CB-O 3.47Å; S94-R133 WeakPolarHBondContact OG-CA 3.28Å
95F96Very high85.6Confident0 Ų057.2 Ų57.20%032%0.319CS..EExtended strand (participates in β ladder)trans-74.9130.3166.6-74-101.3000109F130 R133 F134 Q135 I150 D151 T152 P153 Y167 F169 V172 I173 F176F95-F130 HydrophobicContact CB-CE2 4.38Å; F95-F130 HydrophobicContact CD2-CD2 4.38Å; F95-F130 AromaticContact CD2-CE2 3.64Å; F95-F130 HydrophobicContact CD2-CE2 3.64Å; F95-F130 HydrophobicContact CE2-CE2 4.08Å; F95-F130 HydrophobicContact CG-CE2 4.08Å; F95-R133 PolarHBondContact N-O 3.01Å; F95-F134 HydrophobicContact CB-CD2 3.74Å; F95-F134 HydrophobicContact CB-CE2 4.46Å; F95-F134 WeakPolarHBondContact O-CA 3.5Å; F95-F134 WeakPolarHBondContact O-CD2 3.4Å; F95-Q135 PolarHBondContact O-N 3.27Å; F95-I150 HydrophobicContact CD1-CG2 4.43Å; F95-D151 WeakPolarHBondContact CA-O 3.47Å; F95-T152 HydrophobicContact CD1-CG2 3.85Å; F95-T152 HydrophobicContact CE1-CG2 3.65Å; F95-P153 VanDerWaalsContact CD2-CD 3.49Å; F95-P153 HydrophobicContact CD2-CG 3.77Å; F95-P153 HydrophobicContact CE2-CG 3.83Å; F95-P153 HydrophobicContact CG-CG 4.42Å; F95-Y167 AromaticContact CE2-CE2 3.97Å; F95-Y167 HydrophobicContact CE2-CE2 3.97Å; F95-F169 HydrophobicContact CE1-CE2 4.46Å; F95-F169 AromaticContact CE2-CD2 3.74Å; F95-F169 HydrophobicContact CE2-CD2 3.74Å; F95-F169 AromaticContact CE2-CE2 3.6Å; F95-F169 HydrophobicContact CE2-CE2 3.6Å; F95-F169 AromaticContact CZ-CD2 3.73Å; F95-F169 HydrophobicContact CZ-CD2 3.73Å; F95-F169 AromaticContact CZ-CE2 3.38Å; F95-F169 HydrophobicContact CZ-CE2 3.38Å; F95-F169 HydrophobicContact CZ-CZ 4.07Å; F95-V172 HydrophobicContact CD1-CG1 4.14Å; F95-V172 HydrophobicContact CD2-CG1 4.32Å; F95-V172 HydrophobicContact CE1-CG1 3.68Å; F95-V172 HydrophobicContact CE2-CG1 3.87Å; F95-V172 HydrophobicContact CG-CG1 4.43Å; F95-V172 HydrophobicContact CZ-CB 4.2Å; F95-V172 HydrophobicContact CZ-CG1 3.53Å; F95-I173 HydrophobicContact CE1-CD1 3.69Å; F95-I173 HydrophobicContact CE1-CG1 4.35Å; F95-I173 HydrophobicContact CZ-CD1 3.96Å; F95-I173 HydrophobicContact CZ-CG1 4.22Å; F95-F176 HydrophobicContact CD1-CD2 4.18Å; F95-F176 AromaticContact CD1-CE2 3.85Å; F95-F176 HydrophobicContact CD1-CE2 3.85Å; F95-F176 HydrophobicContact CE1-CD2 4.28Å; F95-F176 HydrophobicContact CE1-CE2 4.33Å; F95-F176 HydrophobicContact CG-CE2 4.47Å
96I97.2Very high86.3Confident7 Ų754 Ų544%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-123.7114.8-178.5-48.8-179.6000109F81 V98 Q135 A137 I150 D151F81-I96 HydrophobicContact CE2-CD1 4.17Å; F81-I96 HydrophobicContact CE2-CG2 4.13Å; I96-V98 HydrophobicContact CG2-CG2 3.99Å; I96-Q135 WeakPolarHBondContact CA-O 3.27Å; I96-Q135 HydrophobicContact CB-CG 4.43Å; I96-Q135 HydrophobicContact CG1-CG 3.98Å; I96-Q135 HydrophobicContact CG2-CG 4.27Å; I96-A137 HydrophobicContact CG2-CB 3.71Å; I96-I150 WeakPolarHBondContact O-CA 3.42Å; I96-D151 HydrophobicContact CB-CB 4.13Å; I96-D151 PolarHBondContact N-O 3.3Å; I96-D151 PolarHBondContact O-N 3.44Å
97A97.8Very high87.1Confident0 Ų052.1 Ų52.10%030%0.302CS..EExtended strand (participates in β ladder)trans-83.5110.1166.400000109.1M99 F120 F134 Q135 C136 A137 F149 I150A97-M99 HydrophobicContact CB-CG 4.36Å; A97-M99 HydrophobicContact CB-SD 4.47Å; A97-F120 HydrophobicContact CB-CE2 4.12Å; A97-F120 HydrophobicContact CB-CZ 3.76Å; A97-F134 HydrophobicContact CB-CE2 4.42Å; A97-Q135 PolarHBondContact N-O 3.32Å; A97-C136 HydrophobicContact CB-CB 4.32Å; A97-C136 CarbonylContact O-C 3.55Å; A97-C136 VanDerWaalsContact O-CA 3.24Å; A97-C136 WeakPolarHBondContact O-CA 3.49Å; A97-C136 PolarHBondContact O-SG 2.86Å; A97-A137 PolarHBondContact O-N 2.82Å; A97-F149 CarbonylContact C-O 3.09Å; A97-I150 HydrophobicContact CB-CD1 3.7Å
98V98.1Very high88Confident0 Ų054.8 Ų54.80%032%0.316CS..EExtended strand (participates in β ladder)trans-93.1114.1177.6-170.80000108.5I73 F81 I96 A137 L144 F149I73-V98 HydrophobicContact CG2-CG2 4.34Å; F81-V98 HydrophobicContact CB-CG1 4.08Å; F81-V98 HydrophobicContact CD1-CG1 4.42Å; F81-V98 HydrophobicContact CD1-CG2 4.36Å; F81-V98 HydrophobicContact CD2-CG2 3.96Å; F81-V98 HydrophobicContact CE1-CG2 4.32Å; F81-V98 HydrophobicContact CE2-CG2 3.92Å; F81-V98 HydrophobicContact CG-CG1 4.13Å; F81-V98 HydrophobicContact CG-CG2 4.17Å; F81-V98 HydrophobicContact CZ-CG2 4.09Å; I96-V98 HydrophobicContact CG2-CG2 3.99Å; V98-A137 CarbonylContact C-O 3.54Å; V98-A137 VanDerWaalsContact CA-O 3.29Å; V98-A137 WeakPolarHBondContact CA-O 3.49Å; V98-L144 HydrophobicContact CG1-CD1 3.8Å; V98-L144 HydrophobicContact CG1-CD2 4.07Å; V98-F149 HydrophobicContact CB-CB 4.31Å; V98-F149 PolarHBondContact N-O 3.28Å; V98-F149 PolarHBondContact O-N 3.38Å; V98-F149 VanDerWaalsContact O-N 3.13Å
99M97Very high89.3Confident20 Ų2049.2 Ų49.210%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-133.3152.4-168.3-58.4-171.878.300112.3A97 K118 F120 C136 A137 H138 M139 T148A97-M99 HydrophobicContact CB-CG 4.36Å; A97-M99 HydrophobicContact CB-SD 4.47Å; M99-K118 HydrophobicContact CE-CD 3.99Å; M99-K118 HydrophobicContact SD-CD 4.33Å; M99-F120 HydrophobicContact SD-CE2 3.78Å; M99-F120 HydrophobicContact SD-CZ 4.2Å; M99-C136 VanDerWaalsContact SD-SG 3.68Å; M99-A137 PolarHBondContact N-O 3.33Å; M99-H138 VanDerWaalsContact O-CA 3.26Å; M99-H138 WeakPolarHBondContact O-CA 3.34Å; M99-M139 PolarHBondContact O-N 2.96Å; M99-M139 VanDerWaalsContact O-N 3.12Å; M99-T148 HydrophobicContact CE-CG2 4.42Å; M99-T148 HydrophobicContact CG-CG2 3.79Å
100N95Very high90.6Very high43 Ų4348 Ų4823%0.2328%0.276CS..EExtended strand (participates in β ladder)trans-73.8139.5171.4-170.650.2000111.2M139 P140 N141 L144 D145N100-M139 VanDerWaalsContact CA-O 3.3Å; N100-M139 WeakPolarHBondContact CA-O 3.49Å; N100-M139 PolarHBondContact OD1-O 3.45Å; N100-P140 VanDerWaalsContact OD1-CA 3.27Å; N100-P140 WeakPolarHBondContact OD1-CA 3.11Å; N100-N141 PolarHBondContact OD1-N 3.39Å; N100-N141 PolarHBondContact OD1-O 3.14Å; N100-L144 VanDerWaalsContact CB-C 3.47Å; N100-L144 HydrophobicContact CB-CB 3.62Å; N100-L144 WeakPolarHBondContact CB-O 3.41Å; N100-D145 VanDerWaalsContact CG-OD1 3.29Å; N100-D145 PolarHBondContact ND2-OD1 3.39Å
101D94.5Very high92.2Very high59 Ų5946.2 Ų46.232%0.31627%0.268SS..  trans-156.4156.4168.2-163.3-27000109R103 H138 M139 P140D101-R103 PolarHBondContact O-N 3.34Å; D101-H138 HydrophobicContact CB-CB 3.68Å; D101-H138 IonicContact OD2-CD2 3.53Å; D101-H138 IonicContact OD2-CG 2.77Å; D101-M139 PolarHBondContact N-O 2.94Å; D101-M139 VanDerWaalsContact N-O 3.09Å; D101-M139 CarbonylContact O-C 3.48Å; D101-P140 WeakPolarHBondContact O-CA 3.48Å; D101-P140 WeakPolarHBondContact O-CB 3.36Å; D101-P140 WeakPolarHBondContact O-CD 3.38Å
102A92.9Very high93.7Very high91 Ų9145.3 Ų45.375%0.75226%0.263SS*.SBendtrans-63.6-22.9178.100000112.9
103R92.6Very high94.9Very high200 Ų20044.6 Ų44.676%0.75526%0.259SS*.SBendtrans-116.1151.6178.7-63.9-176.7-177.2-179.71.8110.5D101 H138D101-R103 PolarHBondContact O-N 3.34Å; R103-H138 PolarHBondContact O-CD2 2.93Å
104S95.4Very high95.4Very high80 Ų8046.4 Ų46.456%0.55927%0.266SS*.  trans-90.8135.8171.8-66.40000111H138 P140S104-H138 CarbonylContact C-O 3.51Å; S104-H138 WeakPolarHBondContact CA-O 3.46Å; S104-P140 WeakPolarHBondContact OG-CD 3.4Å
105G96.7Very high95.4Very high20 Ų2048.1 Ų48.121%0.20627%0.274CS..EExtended strand (participates in β ladder)trans177.1-175.8177.600000114.4P82 H138P82-G105 WeakPolarHBondContact CB-O 3.09Å; G105-H138 VanDerWaalsContact CA-CE1 3.49Å; G105-H138 WeakPolarHBondContact CA-CE1 3.46Å; G105-H138 PolarHBondContact N-O 3.31Å; G105-H138 PolarHBondContact O-CE1 3.18Å; G105-H138 PolarHBondContact O-N 3.39Å; G105-H138 PolarHBondContact O-ND1 3.05Å; G105-H138 VanDerWaalsContact O-ND1 3.15Å
106I97Very high95Very high75 Ų7555.4 Ų55.439%0.38530%0.302SS..EExtended strand (participates in β ladder)trans-125131.4176.5-57.7174.2000108.7P82 Q135 C136P82-I106 HydrophobicContact CB-CD1 4.32Å; P82-I106 HydrophobicContact CB-CG1 3.7Å; I106-Q135 HydrophobicContact CG2-CB 4.01Å; I106-Q135 HydrophobicContact CG2-CG 4.42Å; I106-C136 CarbonylContact C-O 3.31Å; I106-C136 WeakPolarHBondContact CA-O 3.35Å
107I96.4Very high94.6Very high38 Ų3859 Ų5920%0.19533%0.328CS..EExtended strand (participates in β ladder)trans-108115.3170.8-52.9176.2000107.8A111 L112 Q135 C136I107-A111 HydrophobicContact CG2-CB 3.9Å; I107-L112 HydrophobicContact CG2-CB 4Å; I107-L112 HydrophobicContact CG2-CD1 4.31Å; I107-Q135 CarbonylContact O-C 3.51Å; I107-Q135 WeakPolarHBondContact O-CA 3.07Å; I107-C136 HydrophobicContact CB-CB 4.31Å; I107-C136 PolarHBondContact N-O 3.46Å; I107-C136 PolarHBondContact O-N 3.04Å
108P96.5Very high94.2Very high77 Ų7760.6 Ų60.650%0.534%0.335SS..EExtended strand (participates in β ladder)trans-63.1150.9175.9-22.133.2000112.2N110 A111 L112P108-N110 VanDerWaalsContact C-N 3.31Å; P108-N110 PolarHBondContact O-N 2.97Å; P108-A111 PolarHBondContact O-N 3.3Å; P108-L112 PolarHBondContact O-N 3.04Å
109G96.1Very high93.8Very high0 Ų061 Ų610%034%0.337CS..Hα-helixtrans-55.6-41.3-173.900000114A111 L112 V113 L131 F134G109-A111 VanDerWaalsContact C-N 3.28Å; G109-A111 PolarHBondContact O-N 3.49Å; G109-L112 PolarHBondContact O-N 2.79Å; G109-L112 VanDerWaalsContact O-N 3.16Å; G109-V113 WeakPolarHBondContact O-CG1 3.16Å; G109-V113 WeakPolarHBondContact O-CG2 3.39Å; G109-V113 PolarHBondContact O-N 2.95Å; G109-L131 WeakPolarHBondContact CA-O 3.28Å; G109-F134 WeakPolarHBondContact CA-O 3.32Å; G109-F134 PolarHBondContact N-O 3.24Å
110N95.3Very high93.7Very high63 Ų6360.1 Ų60.134%0.33733%0.332SS..Hα-helixtrans-59.6-35.4176-75.1-62.1000113.5P108 M114 N128 L131 N132P108-N110 VanDerWaalsContact C-N 3.31Å; P108-N110 PolarHBondContact O-N 2.97Å; N110-M114 WeakPolarHBondContact O-CG 3.37Å; N110-N128 PolarHBondContact OD1-OD1 3.31Å; N110-L131 WeakPolarHBondContact OD1-CD1 3.43Å; N110-N132 PolarHBondContact ND2-OD1 3.42Å; N110-N132 VanDerWaalsContact ND2-OD1 3.13Å
111A96.5Very high93.7Very high53 Ų5361 Ų6144%0.43833%0.333SS..Hα-helixtrans-79.5-38.4174.800000111.1I107 P108 G109 V113 M114I107-A111 HydrophobicContact CG2-CB 3.9Å; P108-A111 PolarHBondContact O-N 3.3Å; G109-A111 VanDerWaalsContact C-N 3.28Å; G109-A111 PolarHBondContact O-N 3.49Å; A111-V113 VanDerWaalsContact C-N 3.35Å; A111-V113 PolarHBondContact O-N 3.11Å; A111-M114 WeakPolarHBondContact O-CB 3.43Å; A111-M114 PolarHBondContact O-N 2.85Å
112L94.8Very high93.6Very high0 Ų059 Ų590%032%0.323CS..Hα-helixtrans-63.8-36.5-176.7-17360.8000113I107 P108 G109 M114 D115 K118 F120 F134 C136I107-L112 HydrophobicContact CG2-CB 4Å; I107-L112 HydrophobicContact CG2-CD1 4.31Å; P108-L112 PolarHBondContact O-N 3.04Å; G109-L112 PolarHBondContact O-N 2.79Å; G109-L112 VanDerWaalsContact O-N 3.16Å; L112-M114 PolarHBondContact O-N 3.45Å; L112-D115 PolarHBondContact O-N 3.32Å; L112-K118 HydrophobicContact CD1-CG 4.38Å; L112-F120 HydrophobicContact CD1-CD2 3.85Å; L112-F120 HydrophobicContact CD1-CE2 4.38Å; L112-F120 HydrophobicContact CD2-CD2 3.76Å; L112-F120 HydrophobicContact CD2-CE2 4.25Å; L112-F120 HydrophobicContact CD2-CG 4.32Å; L112-F120 HydrophobicContact CG-CB 4.26Å; L112-F120 HydrophobicContact CG-CD2 3.7Å; L112-F120 HydrophobicContact CG-CG 4.33Å; L112-F134 HydrophobicContact CD2-CD1 4.23Å; L112-F134 HydrophobicContact CD2-CE1 3.47Å; L112-F134 VanDerWaalsContact CD2-CE1 3.47Å; L112-F134 HydrophobicContact CD2-CE2 4.27Å; L112-F134 HydrophobicContact CD2-CZ 3.48Å; L112-F134 VanDerWaalsContact CD2-CZ 3.48Å; L112-F134 HydrophobicContact CG-CE1 4.25Å; L112-C136 HydrophobicContact CD1-CB 3.76Å; L112-C136 HydrophobicContact CD2-CB 3.47Å; L112-C136 VanDerWaalsContact CD2-CB 3.47Å; L112-C136 HydrophobicContact CG-CB 4.25Å
113V94.6Very high93.7Very high10 Ų1054.7 Ų54.76%0.06129%0.287CS..THydrogen-bonded Turntrans-74.2-3.9176-59.40000113.9G109 A111 F120 R121 L123 L131G109-V113 WeakPolarHBondContact O-CG1 3.16Å; G109-V113 WeakPolarHBondContact O-CG2 3.39Å; G109-V113 PolarHBondContact O-N 2.95Å; A111-V113 VanDerWaalsContact C-N 3.35Å; A111-V113 PolarHBondContact O-N 3.11Å; V113-F120 WeakPolarHBondContact CG1-O 3.29Å; V113-R121 VanDerWaalsContact O-CG 3.27Å; V113-R121 WeakPolarHBondContact O-CG 3.23Å; V113-L123 HydrophobicContact CG1-CB 4.31Å; V113-L131 HydrophobicContact CG1-CD2 3.56Å; V113-L131 HydrophobicContact CG2-CD1 4.25Å; V113-L131 HydrophobicContact CG2-CD2 4.33Å
114M92.9Very high93.7Very high124 Ų12448.3 Ų48.361%0.61127%0.273SS*.THydrogen-bonded Turntrans-99.2-8.9173.4-60.5-57.4-62.300112.6N110 A111 L112 Y116N110-M114 WeakPolarHBondContact O-CG 3.37Å; A111-M114 WeakPolarHBondContact O-CB 3.43Å; A111-M114 PolarHBondContact O-N 2.85Å; L112-M114 PolarHBondContact O-N 3.45Å; M114-Y116 WeakPolarHBondContact O-CD2 3.44Å; M114-Y116 PolarHBondContact O-N 3.2Å
115D91Very high93.6Very high50 Ų5050.5 Ų50.527%0.26727%0.273SS..  trans-83108.7179.1-173.8-7.4000110.8L112 S117 K118L112-D115 PolarHBondContact O-N 3.32Å; D115-S117 PolarHBondContact O-N 3.1Å; D115-S117 VanDerWaalsContact OD1-CB 3.32Å; D115-S117 WeakPolarHBondContact OD1-CB 3.46Å; D115-S117 PolarHBondContact OD1-N 3.47Å; D115-S117 PolarHBondContact OD1-OG 3.21Å; D115-S117 PolarHBondContact OD2-OG 3.24Å; D115-K118 HydrophobicContact CB-CB 4.5Å; D115-K118 HydrophobicContact CB-CG 4.26Å; D115-K118 PolarHBondContact O-N 2.92Å; D115-K118 WeakPolarHBondContact OD2-CG 3.18Å
116Y87.7Confident93.5Very high154 Ų15451 Ų5160%0.60427%0.269SS*.THydrogen-bonded Turntrans-69.9-18.3179.1-72.3-94.4000113.7M114 K118M114-Y116 WeakPolarHBondContact O-CD2 3.44Å; M114-Y116 PolarHBondContact O-N 3.2Å; Y116-K118 PolarHBondContact O-N 3.21Å
117S87.8Confident93.3Very high83 Ų8348.8 Ų48.858%0.5827%0.265SS*.THydrogen-bonded Turntrans-74.1-10.9174.275.20000112.2D115D115-S117 PolarHBondContact O-N 3.1Å; D115-S117 VanDerWaalsContact OD1-CB 3.32Å; D115-S117 WeakPolarHBondContact OD1-CB 3.46Å; D115-S117 PolarHBondContact OD1-N 3.47Å; D115-S117 PolarHBondContact OD1-OG 3.21Å; D115-S117 PolarHBondContact OD2-OG 3.24Å
118K90Very high93.2Very high33 Ų3352.1 Ų52.114%0.14328%0.283CS..SBendtrans-117.7151.4-177.4-53-62.217375.10111.1S51 M99 L112 D115 Y116 F120S51-K118 PolarHBondContact OG-O 3.48Å; M99-K118 HydrophobicContact CE-CD 3.99Å; M99-K118 HydrophobicContact SD-CD 4.33Å; L112-K118 HydrophobicContact CD1-CG 4.38Å; D115-K118 HydrophobicContact CB-CB 4.5Å; D115-K118 HydrophobicContact CB-CG 4.26Å; D115-K118 PolarHBondContact O-N 2.92Å; D115-K118 WeakPolarHBondContact OD2-CG 3.18Å; Y116-K118 PolarHBondContact O-N 3.21Å; K118-F120 HydrophobicContact CB-CD2 3.87Å; K118-F120 HydrophobicContact CB-CE2 4.34Å; K118-F120 PolarHBondContact O-N 2.79Å
119Q90.2Very high93Very high9 Ų950 Ų504%0.04228%0.275CS..THydrogen-bonded Turntrans-81.79.5-176.165.8-157.7-23.400114.9S55 P122 W175S55-Q119 VanDerWaalsContact CB-CD 3.42Å; S55-Q119 PolarHBondContact OG-OE1 3.22Å; Q119-P122 WeakPolarHBondContact O-CD 3.29Å; Q119-W175 WeakPolarHBondContact O-CH2 3.37Å; Q119-W175 WeakPolarHBondContact O-CZ2 3.34Å
120F94.8Very high93Very high0 Ų050 Ų500%028%0.275CS..THydrogen-bonded Turntrans-91.7-6.9-168-59.9-54.9000114.4M58 A97 M99 L112 V113 K118 P122 L123 F134 W175 F176M58-F120 HydrophobicContact CE-CE1 4.21Å; A97-F120 HydrophobicContact CB-CE2 4.12Å; A97-F120 HydrophobicContact CB-CZ 3.76Å; M99-F120 HydrophobicContact SD-CE2 3.78Å; M99-F120 HydrophobicContact SD-CZ 4.2Å; L112-F120 HydrophobicContact CD1-CD2 3.85Å; L112-F120 HydrophobicContact CD1-CE2 4.38Å; L112-F120 HydrophobicContact CD2-CD2 3.76Å; L112-F120 HydrophobicContact CD2-CE2 4.25Å; L112-F120 HydrophobicContact CD2-CG 4.32Å; L112-F120 HydrophobicContact CG-CB 4.26Å; L112-F120 HydrophobicContact CG-CD2 3.7Å; L112-F120 HydrophobicContact CG-CG 4.33Å; V113-F120 WeakPolarHBondContact CG1-O 3.29Å; K118-F120 HydrophobicContact CB-CD2 3.87Å; K118-F120 HydrophobicContact CB-CE2 4.34Å; K118-F120 PolarHBondContact O-N 2.79Å; F120-P122 VanDerWaalsContact C-N 3.32Å; F120-L123 HydrophobicContact CB-CD1 4.12Å; F120-L123 HydrophobicContact CD1-CD1 3.92Å; F120-L123 HydrophobicContact CG-CD1 4.41Å; F120-L123 WeakPolarHBondContact O-CB 3.46Å; F120-L123 PolarHBondContact O-N 2.96Å; F120-F134 HydrophobicContact CB-CE1 4.02Å; F120-F134 HydrophobicContact CB-CZ 4.21Å; F120-F134 HydrophobicContact CD1-CE1 4.43Å; F120-F134 AromaticContact CD1-CZ 3.81Å; F120-F134 HydrophobicContact CD1-CZ 3.81Å; F120-F134 HydrophobicContact CD2-CZ 4.28Å; F120-F134 HydrophobicContact CE1-CZ 4.25Å; F120-F134 HydrophobicContact CG-CE1 4.16Å; F120-F134 AromaticContact CG-CZ 3.83Å; F120-F134 HydrophobicContact CG-CZ 3.83Å; F120-W175 HydrophobicContact CD1-CH2 4.02Å; F120-W175 HydrophobicContact CD1-CZ3 4.21Å; F120-F176 HydrophobicContact CD1-CE1 4.39Å; F120-F176 AromaticContact CE1-CE1 3.97Å; F120-F176 HydrophobicContact CE1-CE1 3.97Å
121R93.4Very high93Very high63 Ų6347.3 Ų47.324%0.23826%0.261CS..G310 helixtrans-50.6-42.2-178.5-53-171.447.4-122.5-4.4114.1E49 V113 L123 S124E49-R121 IonicContact OE1-CZ 3.65Å; E49-R121 IonicContact OE1-NH1 3.34Å; E49-R121 PolarHBondContact OE1-NH1 2.63Å; E49-R121 WeakPolarHBondContact OE2-CD 3.46Å; E49-R121 IonicContact OE2-CZ 2.72Å; E49-R121 IonicContact OE2-NH1 2.9Å; E49-R121 PolarHBondContact OE2-NH1 3.09Å; V113-R121 VanDerWaalsContact O-CG 3.27Å; V113-R121 WeakPolarHBondContact O-CG 3.23Å; R121-L123 PolarHBondContact O-N 3.13Å; R121-L123 VanDerWaalsContact O-N 3.09Å; R121-S124 WeakPolarHBondContact O-CB 3.18Å; R121-S124 PolarHBondContact O-N 3.05Å; R121-S124 VanDerWaalsContact O-N 3.1Å; R121-S124 PolarHBondContact O-OG 3.06Å
122P92.6Very high92.9Very high17 Ų1750.4 Ų50.411%0.1127%0.27CS..G310 helixtrans-62.2-17.7178.8-25.136.7000114.5P46 Q119 F120 S124 K125 W175P46-P122 HydrophobicContact CB-CB 4.31Å; P46-P122 HydrophobicContact CG-CB 4.05Å; Q119-P122 WeakPolarHBondContact O-CD 3.29Å; F120-P122 VanDerWaalsContact C-N 3.32Å; P122-S124 PolarHBondContact O-N 3.29Å; P122-K125 VanDerWaalsContact O-CG 3.28Å; P122-K125 WeakPolarHBondContact O-CG 3.43Å; P122-K125 PolarHBondContact O-N 3.47Å; P122-W175 HydrophobicContact CB-CZ2 4.16Å; P122-W175 HydrophobicContact CG-CZ2 4.32Å
123L94.5Very high92.8Very high0 Ų054 Ų540%028%0.284CS..G310 helixtrans-68.1-15.5176.3-69.1174.2000113.3V113 F120 R121 K125 F126 F130 F134 W175 F176V113-L123 HydrophobicContact CG1-CB 4.31Å; F120-L123 HydrophobicContact CB-CD1 4.12Å; F120-L123 HydrophobicContact CD1-CD1 3.92Å; F120-L123 HydrophobicContact CG-CD1 4.41Å; F120-L123 WeakPolarHBondContact O-CB 3.46Å; F120-L123 PolarHBondContact O-N 2.96Å; R121-L123 PolarHBondContact O-N 3.13Å; R121-L123 VanDerWaalsContact O-N 3.09Å; L123-K125 PolarHBondContact O-N 3.33Å; L123-K125 VanDerWaalsContact O-N 3.08Å; L123-F126 HydrophobicContact CB-CD2 4.47Å; L123-F126 HydrophobicContact CD2-CD2 3.79Å; L123-F126 HydrophobicContact CD2-CE2 3.67Å; L123-F126 PolarHBondContact O-N 3.18Å; L123-F130 HydrophobicContact CB-CE1 3.86Å; L123-F130 HydrophobicContact CD1-CE1 4.16Å; L123-F130 HydrophobicContact CD1-CZ 4.29Å; L123-F130 HydrophobicContact CD2-CE1 4.2Å; L123-F130 HydrophobicContact CD2-CZ 4.36Å; L123-F130 HydrophobicContact CG-CE1 4.32Å; L123-F134 HydrophobicContact CD1-CD1 4.06Å; L123-F134 HydrophobicContact CD1-CE1 3.41Å; L123-F134 VanDerWaalsContact CD1-CE1 3.41Å; L123-F134 HydrophobicContact CD1-CE2 4.31Å; L123-F134 HydrophobicContact CD1-CZ 3.57Å; L123-W175 HydrophobicContact CD1-CE3 4.21Å; L123-W175 HydrophobicContact CD1-CH2 4.08Å; L123-W175 HydrophobicContact CD1-CZ3 3.81Å; L123-W175 HydrophobicContact CD2-CD2 3.45Å; L123-W175 VanDerWaalsContact CD2-CD2 3.45Å; L123-W175 HydrophobicContact CD2-CE3 3.38Å; L123-W175 HydrophobicContact CD2-CG 3.96Å; L123-W175 HydrophobicContact CD2-CH2 4.29Å; L123-W175 HydrophobicContact CD2-CZ2 4.34Å; L123-W175 HydrophobicContact CD2-CZ3 3.84Å; L123-W175 HydrophobicContact CG-CD2 4.08Å; L123-W175 HydrophobicContact CG-CE3 3.91Å; L123-W175 HydrophobicContact CG-CH2 3.89Å; L123-W175 HydrophobicContact CG-CZ2 4.04Å; L123-W175 HydrophobicContact CG-CZ3 3.82Å; L123-F176 HydrophobicContact CD1-CE1 4.49Å; L123-F176 HydrophobicContact CD1-CE2 4.25Å; L123-F176 HydrophobicContact CD1-CZ 3.8Å; L123-F176 HydrophobicContact CD2-CE2 4.44Å
124S93.9Very high92.9Very high65 Ų6553.8 Ų53.846%0.45528%0.282SS..G310 helixtrans-54.4-26.1172.956.20000113.3R121 P122 F126 G127R121-S124 WeakPolarHBondContact O-CB 3.18Å; R121-S124 PolarHBondContact O-N 3.05Å; R121-S124 VanDerWaalsContact O-N 3.1Å; R121-S124 PolarHBondContact O-OG 3.06Å; P122-S124 PolarHBondContact O-N 3.29Å; S124-F126 PolarHBondContact O-N 2.86Å; S124-G127 PolarHBondContact O-N 3.45Å
125K92.9Very high93.1Very high127 Ų12749.9 Ų49.955%0.55226%0.262SS*.G310 helixtrans-61-23.6176.378.5-177.9-178.4165.30114.1P122 L123 G127P122-K125 VanDerWaalsContact O-CG 3.28Å; P122-K125 WeakPolarHBondContact O-CG 3.43Å; P122-K125 PolarHBondContact O-N 3.47Å; L123-K125 PolarHBondContact O-N 3.33Å; L123-K125 VanDerWaalsContact O-N 3.08Å; K125-G127 PolarHBondContact O-N 3.14Å
126F94.2Very high93.4Very high29 Ų2947.5 Ų47.513%0.12725%0.249CC..G310 helixtrans-81.5-2.9178-63.6-70.1000113.2L123 S124 F130 D168 G171 V172 W175L123-F126 HydrophobicContact CB-CD2 4.47Å; L123-F126 HydrophobicContact CD2-CD2 3.79Å; L123-F126 HydrophobicContact CD2-CE2 3.67Å; L123-F126 PolarHBondContact O-N 3.18Å; S124-F126 PolarHBondContact O-N 2.86Å; F126-F130 HydrophobicContact CB-CB 3.66Å; F126-F130 HydrophobicContact CB-CD1 3.73Å; F126-F130 HydrophobicContact CB-CG 3.76Å; F126-F130 HydrophobicContact CD2-CD1 4.46Å; F126-F130 HydrophobicContact CG-CD1 4.49Å; F126-D168 HydrophobicContact CD1-CB 4.43Å; F126-G171 VanDerWaalsContact CZ-O 3.31Å; F126-G171 WeakPolarHBondContact CZ-O 3.24Å; F126-V172 HydrophobicContact CB-CG2 4.17Å; F126-V172 HydrophobicContact CD1-CG2 3.64Å; F126-V172 HydrophobicContact CD2-CG2 3.67Å; F126-V172 HydrophobicContact CE1-CG2 3.85Å; F126-V172 HydrophobicContact CE2-CB 4.48Å; F126-V172 HydrophobicContact CE2-CG2 3.87Å; F126-V172 HydrophobicContact CG-CG2 3.55Å; F126-V172 HydrophobicContact CZ-CB 4.44Å; F126-V172 HydrophobicContact CZ-CG2 3.96Å; F126-W175 HydrophobicContact CE2-CB 4.15Å; F126-W175 HydrophobicContact CE2-CG 4.35Å; F126-W175 HydrophobicContact CZ-CB 4.23Å
127G94Very high93.9Very high30 Ų3040.1 Ų40.131%0.30922%0.221SC..Hα-helixtrans75.4175.2170.600000115S124 K125 G129 F130 L131S124-G127 PolarHBondContact O-N 3.45Å; K125-G127 PolarHBondContact O-N 3.14Å; G127-G129 VanDerWaalsContact C-N 3.25Å; G127-G129 PolarHBondContact O-N 3.31Å; G127-F130 PolarHBondContact O-N 3.42Å; G127-F130 VanDerWaalsContact O-N 3.11Å; G127-L131 WeakPolarHBondContact O-CG 3.49Å; G127-L131 PolarHBondContact O-N 3.27Å
128N93.7Very high94.3Very high107 Ų10737.2 Ų37.257%0.57220%0.198SC*.Hα-helixtrans-61.4-29.8-173.4-74.4-32000113.9N110 F130 L131 N132N110-N128 PolarHBondContact OD1-OD1 3.31Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.21Å; N128-L131 PolarHBondContact O-N 2.86Å; N128-N132 WeakPolarHBondContact O-CB 3.31Å; N128-N132 PolarHBondContact O-N 3.05Å; N128-N132 PolarHBondContact O-ND2 3.12Å
129G92.3Very high94.6Very high32 Ų3235.9 Ų35.933%0.3319%0.192SC..Hα-helixtrans-58.4-43.1175.400000112.1G127G127-G129 VanDerWaalsContact C-N 3.25Å; G127-G129 PolarHBondContact O-N 3.31Å
130F95.3Very high94.9Very high0 Ų038.7 Ų38.70%021%0.211CC..Hα-helixtrans-73.9-46.4173.3169.9-105000112.3F95 L123 F126 G127 N128 N132 R133 F134 Y167 V172F95-F130 HydrophobicContact CB-CE2 4.38Å; F95-F130 HydrophobicContact CD2-CD2 4.38Å; F95-F130 AromaticContact CD2-CE2 3.64Å; F95-F130 HydrophobicContact CD2-CE2 3.64Å; F95-F130 HydrophobicContact CE2-CE2 4.08Å; F95-F130 HydrophobicContact CG-CE2 4.08Å; L123-F130 HydrophobicContact CB-CE1 3.86Å; L123-F130 HydrophobicContact CD1-CE1 4.16Å; L123-F130 HydrophobicContact CD1-CZ 4.29Å; L123-F130 HydrophobicContact CD2-CE1 4.2Å; L123-F130 HydrophobicContact CD2-CZ 4.36Å; L123-F130 HydrophobicContact CG-CE1 4.32Å; F126-F130 HydrophobicContact CB-CB 3.66Å; F126-F130 HydrophobicContact CB-CD1 3.73Å; F126-F130 HydrophobicContact CB-CG 3.76Å; F126-F130 HydrophobicContact CD2-CD1 4.46Å; F126-F130 HydrophobicContact CG-CD1 4.49Å; G127-F130 PolarHBondContact O-N 3.42Å; G127-F130 VanDerWaalsContact O-N 3.11Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.21Å; F130-N132 PolarHBondContact O-N 3.46Å; F130-R133 CarbonylContact O-C 3.56Å; F130-R133 VanDerWaalsContact O-CA 3.29Å; F130-R133 WeakPolarHBondContact O-CA 3.39Å; F130-R133 PolarHBondContact O-N 2.85Å; F130-F134 HydrophobicContact CD1-CB 4.37Å; F130-F134 HydrophobicContact CE1-CB 3.73Å; F130-F134 AromaticContact CE1-CD1 3.85Å; F130-F134 HydrophobicContact CE1-CD1 3.85Å; F130-F134 AromaticContact CE1-CG 3.83Å; F130-F134 HydrophobicContact CE1-CG 3.83Å; F130-F134 HydrophobicContact CE2-CB 4.04Å; F130-F134 HydrophobicContact CE2-CG 4.47Å; F130-F134 HydrophobicContact CZ-CB 3.57Å; F130-F134 HydrophobicContact CZ-CD1 4.06Å; F130-F134 HydrophobicContact CZ-CD2 4.04Å; F130-F134 AromaticContact CZ-CG 3.62Å; F130-F134 HydrophobicContact CZ-CG 3.62Å; F130-F134 PolarHBondContact O-N 3.4Å; F130-F134 VanDerWaalsContact O-N 3.12Å; F130-Y167 HydrophobicContact CB-CD1 4.19Å; F130-Y167 HydrophobicContact CB-CD2 3.99Å; F130-Y167 HydrophobicContact CB-CG 3.71Å; F130-Y167 AromaticContact CD2-CD2 3.78Å; F130-Y167 HydrophobicContact CD2-CD2 3.78Å; F130-Y167 AromaticContact CD2-CE2 3.78Å; F130-Y167 HydrophobicContact CD2-CE2 3.78Å; F130-Y167 HydrophobicContact CD2-CG 4.28Å; F130-Y167 HydrophobicContact CG-CD2 4.32Å; F130-Y167 HydrophobicContact CG-CG 4.49Å; F130-V172 HydrophobicContact CD2-CG1 4.23Å; F130-V172 HydrophobicContact CD2-CG2 3.68Å; F130-V172 HydrophobicContact CE2-CB 4.27Å; F130-V172 HydrophobicContact CE2-CG1 3.48Å; F130-V172 VanDerWaalsContact CE2-CG1 3.48Å; F130-V172 HydrophobicContact CE2-CG2 3.77Å; F130-V172 HydrophobicContact CG-CG2 4.14Å; F130-V172 HydrophobicContact CZ-CG1 3.83Å; F130-V172 HydrophobicContact CZ-CG2 4.29Å
131L96Very high94.9Very high8 Ų839.4 Ų39.44%0.04222%0.215CC..Hα-helixtrans-63.5-26.5-174.4-64.1177.3000113.4G109 N110 V113 G127 N128G109-L131 WeakPolarHBondContact CA-O 3.28Å; N110-L131 WeakPolarHBondContact OD1-CD1 3.43Å; V113-L131 HydrophobicContact CG1-CD2 3.56Å; V113-L131 HydrophobicContact CG2-CD1 4.25Å; V113-L131 HydrophobicContact CG2-CD2 4.33Å; G127-L131 WeakPolarHBondContact O-CG 3.49Å; G127-L131 PolarHBondContact O-N 3.27Å; N128-L131 PolarHBondContact O-N 2.86Å
132N93.9Very high94.8Very high118 Ų11837.6 Ų37.663%0.63122%0.216SC*.THydrogen-bonded Turntrans-73.8-16.6171.2-70.1-16.5000113.2N110 N128 F130N110-N132 PolarHBondContact ND2-OD1 3.42Å; N110-N132 VanDerWaalsContact ND2-OD1 3.13Å; N128-N132 WeakPolarHBondContact O-CB 3.31Å; N128-N132 PolarHBondContact O-N 3.05Å; N128-N132 PolarHBondContact O-ND2 3.12Å; F130-N132 PolarHBondContact O-N 3.46Å
133R93.7Very high94.8Very high76 Ų7636.8 Ų36.829%0.28721%0.211SC..THydrogen-bonded Turntrans-11426.8175.3-55.8-149-162-174.13.6112.1D93 S94 F95 F130 Y167D93-R133 VanDerWaalsContact O-CD 3.3Å; D93-R133 WeakPolarHBondContact O-CD 3.33Å; S94-R133 CarbonylContact C-O 3.42Å; S94-R133 WeakPolarHBondContact CA-O 3.43Å; S94-R133 WeakPolarHBondContact CB-O 3.47Å; S94-R133 WeakPolarHBondContact OG-CA 3.28Å; F95-R133 PolarHBondContact N-O 3.01Å; F130-R133 CarbonylContact O-C 3.56Å; F130-R133 VanDerWaalsContact O-CA 3.29Å; F130-R133 WeakPolarHBondContact O-CA 3.39Å; F130-R133 PolarHBondContact O-N 2.85Å; R133-Y167 HydrophobicContact CB-CE1 4.32Å; R133-Y167 HydrophobicContact CG-CE1 4.41Å
134F96.7Very high94.8Very high4 Ų436.8 Ų36.82%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-131.5136174178.3-132.8000108.5F95 A97 G109 L112 F120 L123 F130 F176F95-F134 HydrophobicContact CB-CD2 3.74Å; F95-F134 HydrophobicContact CB-CE2 4.46Å; F95-F134 WeakPolarHBondContact O-CA 3.5Å; F95-F134 WeakPolarHBondContact O-CD2 3.4Å; A97-F134 HydrophobicContact CB-CE2 4.42Å; G109-F134 WeakPolarHBondContact CA-O 3.32Å; G109-F134 PolarHBondContact N-O 3.24Å; L112-F134 HydrophobicContact CD2-CD1 4.23Å; L112-F134 HydrophobicContact CD2-CE1 3.47Å; L112-F134 VanDerWaalsContact CD2-CE1 3.47Å; L112-F134 HydrophobicContact CD2-CE2 4.27Å; L112-F134 HydrophobicContact CD2-CZ 3.48Å; L112-F134 VanDerWaalsContact CD2-CZ 3.48Å; L112-F134 HydrophobicContact CG-CE1 4.25Å; F120-F134 HydrophobicContact CB-CE1 4.02Å; F120-F134 HydrophobicContact CB-CZ 4.21Å; F120-F134 HydrophobicContact CD1-CE1 4.43Å; F120-F134 AromaticContact CD1-CZ 3.81Å; F120-F134 HydrophobicContact CD1-CZ 3.81Å; F120-F134 HydrophobicContact CD2-CZ 4.28Å; F120-F134 HydrophobicContact CE1-CZ 4.25Å; F120-F134 HydrophobicContact CG-CE1 4.16Å; F120-F134 AromaticContact CG-CZ 3.83Å; F120-F134 HydrophobicContact CG-CZ 3.83Å; L123-F134 HydrophobicContact CD1-CD1 4.06Å; L123-F134 HydrophobicContact CD1-CE1 3.41Å; L123-F134 VanDerWaalsContact CD1-CE1 3.41Å; L123-F134 HydrophobicContact CD1-CE2 4.31Å; L123-F134 HydrophobicContact CD1-CZ 3.57Å; F130-F134 HydrophobicContact CD1-CB 4.37Å; F130-F134 HydrophobicContact CE1-CB 3.73Å; F130-F134 AromaticContact CE1-CD1 3.85Å; F130-F134 HydrophobicContact CE1-CD1 3.85Å; F130-F134 AromaticContact CE1-CG 3.83Å; F130-F134 HydrophobicContact CE1-CG 3.83Å; F130-F134 HydrophobicContact CE2-CB 4.04Å; F130-F134 HydrophobicContact CE2-CG 4.47Å; F130-F134 HydrophobicContact CZ-CB 3.57Å; F130-F134 HydrophobicContact CZ-CD1 4.06Å; F130-F134 HydrophobicContact CZ-CD2 4.04Å; F130-F134 AromaticContact CZ-CG 3.62Å; F130-F134 HydrophobicContact CZ-CG 3.62Å; F130-F134 PolarHBondContact O-N 3.4Å; F130-F134 VanDerWaalsContact O-N 3.12Å; F134-F176 AromaticContact CE2-CZ 3.83Å; F134-F176 HydrophobicContact CE2-CZ 3.83Å; F134-F176 HydrophobicContact CZ-CZ 4.17Å
135Q96.3Very high94.7Very high42 Ų4237.4 Ų37.420%0.19621%0.209CC..EExtended strand (participates in β ladder)trans-152.2160178.561.4-175.611.100111.2F95 I96 A97 I106 I107F95-Q135 PolarHBondContact O-N 3.27Å; I96-Q135 WeakPolarHBondContact CA-O 3.27Å; I96-Q135 HydrophobicContact CB-CG 4.43Å; I96-Q135 HydrophobicContact CG1-CG 3.98Å; I96-Q135 HydrophobicContact CG2-CG 4.27Å; A97-Q135 PolarHBondContact N-O 3.32Å; I106-Q135 HydrophobicContact CG2-CB 4.01Å; I106-Q135 HydrophobicContact CG2-CG 4.42Å; I107-Q135 CarbonylContact O-C 3.51Å; I107-Q135 WeakPolarHBondContact O-CA 3.07Å
136C97.3Very high94.5Very high0 Ų032.1 Ų32.10%019%0.191CC..EExtended strand (participates in β ladder)trans-111.6119.5169171.90000109.5A97 M99 I106 I107 L112A97-C136 HydrophobicContact CB-CB 4.32Å; A97-C136 CarbonylContact O-C 3.55Å; A97-C136 VanDerWaalsContact O-CA 3.24Å; A97-C136 WeakPolarHBondContact O-CA 3.49Å; A97-C136 PolarHBondContact O-SG 2.86Å; M99-C136 VanDerWaalsContact SD-SG 3.68Å; I106-C136 CarbonylContact C-O 3.31Å; I106-C136 WeakPolarHBondContact CA-O 3.35Å; I107-C136 HydrophobicContact CB-CB 4.31Å; I107-C136 PolarHBondContact N-O 3.46Å; I107-C136 PolarHBondContact O-N 3.04Å; L112-C136 HydrophobicContact CD1-CB 3.76Å; L112-C136 HydrophobicContact CD2-CB 3.47Å; L112-C136 VanDerWaalsContact CD2-CB 3.47Å; L112-C136 HydrophobicContact CG-CB 4.25Å
137A97.9Very high94.5Very high0 Ų030.8 Ų30.80%019%0.185CC..EExtended strand (participates in β ladder)trans-91115.2168.300000107.5F81 P82 I96 A97 V98 M99F81-A137 HydrophobicContact CD2-CB 3.92Å; P82-A137 HydrophobicContact CB-CB 4.43Å; P82-A137 WeakPolarHBondContact O-CB 3.25Å; I96-A137 HydrophobicContact CG2-CB 3.71Å; A97-A137 PolarHBondContact O-N 2.82Å; V98-A137 CarbonylContact C-O 3.54Å; V98-A137 VanDerWaalsContact CA-O 3.29Å; V98-A137 WeakPolarHBondContact CA-O 3.49Å; M99-A137 PolarHBondContact N-O 3.33Å
138H96.6Very high94.7Very high22 Ų2229.4 Ų29.410%0.10217%0.17CC..EExtended strand (participates in β ladder)trans-115.7141.5-179.359.3-82000110.3M99 D101 R103 S104 G105M99-H138 VanDerWaalsContact O-CA 3.26Å; M99-H138 WeakPolarHBondContact O-CA 3.34Å; D101-H138 HydrophobicContact CB-CB 3.68Å; D101-H138 IonicContact OD2-CD2 3.53Å; D101-H138 IonicContact OD2-CG 2.77Å; R103-H138 PolarHBondContact O-CD2 2.93Å; S104-H138 CarbonylContact C-O 3.51Å; S104-H138 WeakPolarHBondContact CA-O 3.46Å; G105-H138 VanDerWaalsContact CA-CE1 3.49Å; G105-H138 WeakPolarHBondContact CA-CE1 3.46Å; G105-H138 PolarHBondContact N-O 3.31Å; G105-H138 PolarHBondContact O-CE1 3.18Å; G105-H138 PolarHBondContact O-N 3.39Å; G105-H138 PolarHBondContact O-ND1 3.05Å; G105-H138 VanDerWaalsContact O-ND1 3.15Å
139M97.3Very high94.9Very high5 Ų524.3 Ų24.33%0.02514%0.143CC..EExtended strand (participates in β ladder)trans-163.6155.5-179.164.6-174.6-64.200111.6I77 E79 F81 M99 N100 D101 N141 L144I77-M139 HydrophobicContact CD1-SD 4.27Å; E79-M139 HydrophobicContact CG-CE 3.63Å; E79-M139 WeakPolarHBondContact OE1-CE 3.41Å; E79-M139 WeakPolarHBondContact OE2-CE 3.41Å; F81-M139 HydrophobicContact CB-SD 3.59Å; F81-M139 VanDerWaalsContact CB-SD 3.59Å; M99-M139 PolarHBondContact O-N 2.96Å; M99-M139 VanDerWaalsContact O-N 3.12Å; N100-M139 VanDerWaalsContact CA-O 3.3Å; N100-M139 WeakPolarHBondContact CA-O 3.49Å; N100-M139 PolarHBondContact OD1-O 3.45Å; D101-M139 PolarHBondContact N-O 2.94Å; D101-M139 VanDerWaalsContact N-O 3.09Å; D101-M139 CarbonylContact O-C 3.48Å; M139-N141 HydrophobicContact CG-CB 4.34Å; M139-N141 PolarHBondContact O-N 2.79Å; M139-L144 HydrophobicContact CG-CD1 3.76Å; M139-L144 HydrophobicContact SD-CD1 4.41Å
140P96.2Very high95.1Very high68 Ų6822.8 Ų22.844%0.44213%0.127SC..  trans-74114.8173.828.3-31.8000109.6N100 D101 S104N100-P140 VanDerWaalsContact OD1-CA 3.27Å; N100-P140 WeakPolarHBondContact OD1-CA 3.11Å; D101-P140 WeakPolarHBondContact O-CA 3.48Å; D101-P140 WeakPolarHBondContact O-CB 3.36Å; D101-P140 WeakPolarHBondContact O-CD 3.38Å; S104-P140 WeakPolarHBondContact OG-CD 3.4Å
141N94.5Very high95.2Very high15 Ų1522.8 Ų22.88%0.0813%0.127CC..  trans-156.6132.9178.2-177-79000111.1I77 E79 N100 M139 V143 L144 D145I77-N141 PolarHBondContact O-ND2 3.36Å; I77-N141 VanDerWaalsContact O-ND2 3.08Å; E79-N141 PolarHBondContact OE1-ND2 3.32Å; N100-N141 PolarHBondContact OD1-N 3.39Å; N100-N141 PolarHBondContact OD1-O 3.14Å; M139-N141 HydrophobicContact CG-CB 4.34Å; M139-N141 PolarHBondContact O-N 2.79Å; N141-V143 VanDerWaalsContact C-N 3.29Å; N141-V143 PolarHBondContact O-N 3.13Å; N141-V143 VanDerWaalsContact OD1-CB 3.25Å; N141-V143 WeakPolarHBondContact OD1-CB 3.3Å; N141-V143 PolarHBondContact OD1-N 3.06Å; N141-L144 HydrophobicContact CB-CB 4.26Å; N141-L144 HydrophobicContact CB-CD1 3.89Å; N141-L144 HydrophobicContact CB-CG 3.97Å; N141-L144 PolarHBondContact O-N 3.46Å; N141-L144 VanDerWaalsContact O-N 3.08Å; N141-D145 PolarHBondContact O-N 3.11Å
142G90.8Very high95.2Very high25 Ų2522.4 Ų22.426%0.25813%0.125SC..Hα-helixtrans-63.4-29.9-175.900000114.3L144 D145 T411G142-L144 VanDerWaalsContact C-N 3.31Å; G142-L144 PolarHBondContact O-N 3.46Å; G142-D145 WeakPolarHBondContact O-CB 3.45Å; G142-D145 PolarHBondContact O-N 3.03Å; G142-T411 CarbonylContact C-O 3.49Å
143V92.9Very high95.1Very high0 Ų016.8 Ų16.80%010%0.096CC..Hα-helixtrans-67.8-40.9176.2178.50000109.5I77 N141 D145 G146 I147 F149 V410 T411 G412 F415I77-V143 HydrophobicContact CG2-CB 4.32Å; I77-V143 HydrophobicContact CG2-CG1 4.23Å; N141-V143 VanDerWaalsContact C-N 3.29Å; N141-V143 PolarHBondContact O-N 3.13Å; N141-V143 VanDerWaalsContact OD1-CB 3.25Å; N141-V143 WeakPolarHBondContact OD1-CB 3.3Å; N141-V143 PolarHBondContact OD1-N 3.06Å; V143-D145 PolarHBondContact O-N 3.45Å; V143-G146 PolarHBondContact O-N 3.35Å; V143-I147 PolarHBondContact O-N 3.05Å; V143-F149 HydrophobicContact CG1-CE2 3.79Å; V143-F149 HydrophobicContact CG1-CZ 4.12Å; V143-V410 HydrophobicContact CB-CG1 3.99Å; V143-V410 HydrophobicContact CG1-CG1 3.58Å; V143-V410 HydrophobicContact CG2-CG1 4.17Å; V143-T411 WeakPolarHBondContact CA-O 3.49Å; V143-T411 WeakPolarHBondContact CG2-O 3.42Å; V143-T411 PolarHBondContact N-O 3.13Å; V143-G412 VanDerWaalsContact CG2-C 3.46Å; V143-G412 VanDerWaalsContact CG2-O 3.27Å; V143-G412 WeakPolarHBondContact CG2-O 3.5Å; V143-F415 HydrophobicContact CG1-CD2 4.1Å; V143-F415 HydrophobicContact CG1-CE2 3.68Å; V143-F415 HydrophobicContact CG2-CD2 3.86Å; V143-F415 HydrophobicContact CG2-CE2 4.24Å
144L94.9Very high94.9Very high0 Ų013.6 Ų13.60%09%0.086CC..Hα-helixtrans-74.3-11.2-178.5-56.2-179.5000112.7K56 I77 V98 N100 M139 N141 G142 G146 I147 F149K56-L144 PolarHBondContact NZ-O 3.41Å; I77-L144 HydrophobicContact CG2-CD2 4Å; I77-L144 HydrophobicContact CG2-CG 4.33Å; V98-L144 HydrophobicContact CG1-CD1 3.8Å; V98-L144 HydrophobicContact CG1-CD2 4.07Å; N100-L144 VanDerWaalsContact CB-C 3.47Å; N100-L144 HydrophobicContact CB-CB 3.62Å; N100-L144 WeakPolarHBondContact CB-O 3.41Å; M139-L144 HydrophobicContact CG-CD1 3.76Å; M139-L144 HydrophobicContact SD-CD1 4.41Å; N141-L144 HydrophobicContact CB-CB 4.26Å; N141-L144 HydrophobicContact CB-CD1 3.89Å; N141-L144 HydrophobicContact CB-CG 3.97Å; N141-L144 PolarHBondContact O-N 3.46Å; N141-L144 VanDerWaalsContact O-N 3.08Å; G142-L144 VanDerWaalsContact C-N 3.31Å; G142-L144 PolarHBondContact O-N 3.46Å; L144-G146 VanDerWaalsContact C-N 3.26Å; L144-G146 PolarHBondContact O-N 3.21Å; L144-I147 CarbonylContact C-O 3.57Å; L144-I147 VanDerWaalsContact CA-O 3.27Å; L144-I147 WeakPolarHBondContact CA-O 3.43Å; L144-F149 HydrophobicContact CD2-CD2 3.63Å; L144-F149 HydrophobicContact CD2-CE2 3.94Å
145D91.2Very high94.5Very high77 Ų7713.4 Ų13.441%0.4129%0.085SC..Hα-helixtrans-63.2-36.1171.8-81.8-36.3000111.8K56 N100 N141 G142 V143K56-D145 VanDerWaalsContact CD-O 3.31Å; K56-D145 WeakPolarHBondContact CD-O 3.26Å; K56-D145 VanDerWaalsContact CE-O 3.22Å; K56-D145 WeakPolarHBondContact CE-O 3.39Å; K56-D145 VanDerWaalsContact NZ-C 3.33Å; K56-D145 VanDerWaalsContact NZ-CA 3.34Å; K56-D145 PolarHBondContact NZ-O 3.43Å; N100-D145 VanDerWaalsContact CG-OD1 3.29Å; N100-D145 PolarHBondContact ND2-OD1 3.39Å; N141-D145 PolarHBondContact O-N 3.11Å; G142-D145 WeakPolarHBondContact O-CB 3.45Å; G142-D145 PolarHBondContact O-N 3.03Å; V143-D145 PolarHBondContact O-N 3.45Å
146G89.2Confident93.6Very high17 Ų1713.3 Ų13.318%0.1759%0.086CC..Hα-helixtrans-99.6-22.9178.500000114.9P57 V143 L144P57-G146 WeakPolarHBondContact CD-O 3.25Å; V143-G146 PolarHBondContact O-N 3.35Å; L144-G146 VanDerWaalsContact C-N 3.26Å; L144-G146 PolarHBondContact O-N 3.21Å
147I94.3Very high92.3Very high0 Ų017.6 Ų17.60%012%0.116CC..  trans-135.9143.8-168.1-64.6178.6000111.9P57 V59 V143 L144 F149 L280 L283 P284 V410P57-I147 WeakPolarHBondContact O-CA 3.32Å; V59-I147 HydrophobicContact CB-CG2 4.34Å; V59-I147 HydrophobicContact CG2-CG2 3.66Å; V143-I147 PolarHBondContact O-N 3.05Å; L144-I147 CarbonylContact C-O 3.57Å; L144-I147 VanDerWaalsContact CA-O 3.27Å; L144-I147 WeakPolarHBondContact CA-O 3.43Å; I147-F149 HydrophobicContact CB-CE2 4.39Å; I147-F149 HydrophobicContact CB-CZ 4.4Å; I147-F149 HydrophobicContact CG2-CD1 4.26Å; I147-F149 HydrophobicContact CG2-CD2 4.2Å; I147-F149 HydrophobicContact CG2-CE1 3.91Å; I147-F149 HydrophobicContact CG2-CE2 3.86Å; I147-F149 HydrophobicContact CG2-CG 4.39Å; I147-F149 HydrophobicContact CG2-CZ 3.69Å; I147-L280 WeakPolarHBondContact CD1-O 3.45Å; I147-L283 HydrophobicContact CD1-CB 4.3Å; I147-L283 HydrophobicContact CD1-CD1 4.08Å; I147-P284 HydrophobicContact CG1-CG 4.36Å; I147-V410 HydrophobicContact CD1-CG2 3.41Å; I147-V410 VanDerWaalsContact CD1-CG2 3.41Å; I147-V410 HydrophobicContact CG1-CG2 3.97Å
148T96.6Very high90.7Very high1 Ų119.2 Ų19.21%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-105130.2162.9-66.50000109.8P57 M58 V59 M99 I150P57-T148 PolarHBondContact O-N 2.94Å; M58-T148 CarbonylContact C-O 3.55Å; M58-T148 WeakPolarHBondContact CA-O 3.12Å; V59-T148 PolarHBondContact N-O 3.2Å; M99-T148 HydrophobicContact CE-CG2 4.42Å; M99-T148 HydrophobicContact CG-CG2 3.79Å; T148-I150 HydrophobicContact CG2-CD1 4.07Å
149F98.2Very high88.9Confident0 Ų024.8 Ų24.80%016%0.159CC..EExtended strand (participates in β ladder)trans-100.3139.6172.8-63.9-80000110.6V59 L61 I73 L76 I77 A97 V98 V143 L144 I147V59-F149 HydrophobicContact CB-CD1 3.64Å; V59-F149 HydrophobicContact CB-CE1 3.87Å; V59-F149 HydrophobicContact CG1-CD1 3.94Å; V59-F149 HydrophobicContact CG1-CE1 4.05Å; V59-F149 HydrophobicContact CG2-CD1 4.3Å; V59-F149 HydrophobicContact CG2-CE1 4.06Å; V59-F149 CarbonylContact O-C 2.95Å; V59-F149 WeakPolarHBondContact O-CA 3.37Å; L61-F149 HydrophobicContact CD1-CB 4.44Å; L61-F149 HydrophobicContact CD1-CD1 4.05Å; I73-F149 HydrophobicContact CD1-CB 4.12Å; I73-F149 HydrophobicContact CG1-CB 4.23Å; I73-F149 HydrophobicContact CG1-CG 4.48Å; I73-F149 HydrophobicContact CG2-CB 4.23Å; I73-F149 HydrophobicContact CG2-CD2 4.37Å; I73-F149 HydrophobicContact CG2-CG 4.33Å; L76-F149 HydrophobicContact CB-CZ 4.43Å; L76-F149 HydrophobicContact CD1-CD1 4.46Å; L76-F149 HydrophobicContact CD1-CE1 3.54Å; L76-F149 HydrophobicContact CD1-CZ 3.67Å; I77-F149 HydrophobicContact CG2-CD2 4.33Å; I77-F149 HydrophobicContact CG2-CE2 4.07Å; A97-F149 CarbonylContact C-O 3.09Å; V98-F149 HydrophobicContact CB-CB 4.31Å; V98-F149 PolarHBondContact N-O 3.28Å; V98-F149 PolarHBondContact O-N 3.38Å; V98-F149 VanDerWaalsContact O-N 3.13Å; V143-F149 HydrophobicContact CG1-CE2 3.79Å; V143-F149 HydrophobicContact CG1-CZ 4.12Å; L144-F149 HydrophobicContact CD2-CD2 3.63Å; L144-F149 HydrophobicContact CD2-CE2 3.94Å; I147-F149 HydrophobicContact CB-CE2 4.39Å; I147-F149 HydrophobicContact CB-CZ 4.4Å; I147-F149 HydrophobicContact CG2-CD1 4.26Å; I147-F149 HydrophobicContact CG2-CD2 4.2Å; I147-F149 HydrophobicContact CG2-CE1 3.91Å; I147-F149 HydrophobicContact CG2-CE2 3.86Å; I147-F149 HydrophobicContact CG2-CG 4.39Å; I147-F149 HydrophobicContact CG2-CZ 3.69Å
150I98Very high86.9Confident0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-110.1106.5169.6-52.3-58.2000108.1M58 V59 L60 L61 F95 I96 A97 T148 T152 F176M58-I150 HydrophobicContact CE-CD1 4.33Å; M58-I150 HydrophobicContact CE-CG1 4.49Å; M58-I150 HydrophobicContact CG-CD1 4.19Å; M58-I150 HydrophobicContact CG-CG1 3.6Å; M58-I150 HydrophobicContact SD-CD1 3.93Å; M58-I150 HydrophobicContact SD-CG1 3.47Å; M58-I150 WeakPolarHBondContact SD-CG1 3.45Å; V59-I150 PolarHBondContact O-N 2.94Å; L60-I150 HydrophobicContact CD1-CB 3.71Å; L60-I150 HydrophobicContact CD1-CG1 4.49Å; L60-I150 HydrophobicContact CD1-CG2 3.59Å; L61-I150 PolarHBondContact N-O 3.14Å; F95-I150 HydrophobicContact CD1-CG2 4.43Å; I96-I150 WeakPolarHBondContact O-CA 3.42Å; A97-I150 HydrophobicContact CB-CD1 3.7Å; T148-I150 HydrophobicContact CG2-CD1 4.07Å; I150-T152 HydrophobicContact CG2-CG2 4.24Å; I150-F176 HydrophobicContact CD1-CD1 4.17Å; I150-F176 HydrophobicContact CD1-CE1 3.7Å; I150-F176 HydrophobicContact CG1-CD1 3.85Å; I150-F176 HydrophobicContact CG1-CE1 3.89Å; I150-F176 HydrophobicContact CG2-CD1 4.07Å; I150-F176 HydrophobicContact CG2-CD2 4.48Å; I150-F176 HydrophobicContact CG2-CE1 3.97Å; I150-F176 HydrophobicContact CG2-CE2 4.41Å; I150-F176 HydrophobicContact CG2-CG 4.33Å; I150-F176 HydrophobicContact CG2-CZ 4.16Å
151D96.9Very high85Confident0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-79.1128.6167.4-158.64.3000108.9K69 T70 I73 F95 I96K69-D151 VanDerWaalsContact CB-OD1 3.28Å; K69-D151 WeakPolarHBondContact CB-OD1 3.46Å; T70-D151 WeakPolarHBondContact CA-OD2 3.36Å; T70-D151 VanDerWaalsContact CB-OD2 3.27Å; T70-D151 WeakPolarHBondContact CB-OD2 3.49Å; T70-D151 PolarHBondContact OG1-OD2 3.42Å; I73-D151 HydrophobicContact CD1-CB 3.46Å; I73-D151 VanDerWaalsContact CD1-CB 3.46Å; F95-D151 WeakPolarHBondContact CA-O 3.47Å; I96-D151 HydrophobicContact CB-CB 4.13Å; I96-D151 PolarHBondContact N-O 3.3Å; I96-D151 PolarHBondContact O-N 3.44Å
152T95.5Very high83.2Confident0 Ų037.1 Ų37.10%020%0.204CC..  trans-108.7152.2-179.967.70000110.9L60 L61 K69 F95 I150 I173L60-T152 HydrophobicContact CD1-CG2 3.52Å; L61-T152 WeakPolarHBondContact O-CB 3.44Å; L61-T152 WeakPolarHBondContact O-CG2 3.3Å; L61-T152 PolarHBondContact O-OG1 3.48Å; K69-T152 WeakPolarHBondContact CE-O 3.25Å; F95-T152 HydrophobicContact CD1-CG2 3.85Å; F95-T152 HydrophobicContact CE1-CG2 3.65Å; I150-T152 HydrophobicContact CG2-CG2 4.24Å; T152-I173 HydrophobicContact CG2-CD1 3.82Å
153P91.6Very high81.6Confident1 Ų142 Ų421%0.00623%0.229CC..PPolyproline II helixtrans-55.8146170.7-24.332.7000112T92 F95 I155 F169T92-P153 VanDerWaalsContact O-CA 3.31Å; T92-P153 WeakPolarHBondContact O-CA 3.27Å; F95-P153 VanDerWaalsContact CD2-CD 3.49Å; F95-P153 HydrophobicContact CD2-CG 3.77Å; F95-P153 HydrophobicContact CE2-CG 3.83Å; F95-P153 HydrophobicContact CG-CG 4.42Å; P153-I155 PolarHBondContact O-N 3.08Å; P153-F169 HydrophobicContact CB-CE2 4.14Å; P153-F169 HydrophobicContact CG-CE2 4.11Å
154G90.1Very high80.3Confident9 Ų948.3 Ų48.39%0.09326%0.263CS..PPolyproline II helixtrans-56.9128.717200000111.8L156 R165G154-L156 PolarHBondContact O-N 3.38Å; G154-R165 PolarHBondContact O-NH2 3.14Å
155I88.1Confident79.5Confident0 Ų049.2 Ų49.20%027%0.266CS..BIsolated β-bridgetrans-73.5123.3172-59.3169.1000107.9I62 G63 Q64 Y65 P153 F169 E197 F198 V201I62-I155 HydrophobicContact CG2-CD1 3.67Å; G63-I155 PolarHBondContact O-N 3.04Å; G63-I155 VanDerWaalsContact O-N 3.14Å; Q64-I155 CarbonylContact C-O 3.54Å; Q64-I155 VanDerWaalsContact CA-O 3.24Å; Q64-I155 WeakPolarHBondContact CA-O 3.4Å; Q64-I155 WeakPolarHBondContact CB-O 3.35Å; Q64-I155 HydrophobicContact CG-CB 4.3Å; Y65-I155 PolarHBondContact N-O 3.38Å; P153-I155 PolarHBondContact O-N 3.08Å; I155-F169 HydrophobicContact CD1-CE1 4.18Å; I155-F169 HydrophobicContact CG1-CE1 3.79Å; I155-F169 HydrophobicContact CG1-CZ 3.96Å; I155-E197 HydrophobicContact CG2-CB 3.79Å; I155-E197 HydrophobicContact CG2-CG 3.68Å; I155-F198 HydrophobicContact CD1-CB 4.38Å; I155-F198 HydrophobicContact CD1-CD2 3.4Å; I155-F198 VanDerWaalsContact CD1-CD2 3.4Å; I155-F198 HydrophobicContact CD1-CE2 4.01Å; I155-F198 HydrophobicContact CD1-CG 4.19Å; I155-F198 HydrophobicContact CG2-CB 3.99Å; I155-V201 HydrophobicContact CD1-CB 4.01Å; I155-V201 HydrophobicContact CD1-CG1 3.99Å; I155-V201 HydrophobicContact CD1-CG2 3.9Å
156L78Confident79.2Confident39 Ų3948.7 Ų48.720%0.20428%0.279CS..PPolyproline II helixtrans-91.1152.2-173-68.7167.9000110.9Y65 G154 G158 Q161Y65-L156 HydrophobicContact CG-CD2 4.41Å; G154-L156 PolarHBondContact O-N 3.38Å; L156-G158 PolarHBondContact O-N 2.68Å; L156-Q161 HydrophobicContact CB-CB 4.27Å; L156-Q161 HydrophobicContact CD1-CB 3.85Å; L156-Q161 HydrophobicContact CD1-CG 4.21Å
157S70.1Confident79.3Confident91 Ų9149.2 Ų49.264%0.63628%0.276SS*.SBendtrans-94.188179.1-43.70000109.3
158G64.4Low79.1Confident34 Ų3453.6 Ų53.635%0.35130%0.299SS..SBendtrans151.2149.1168.200000116.3L156 K160 Q161L156-G158 PolarHBondContact O-N 2.68Å; G158-K160 PolarHBondContact O-N 3.49Å; G158-Q161 PolarHBondContact O-N 3.28Å
159E57.7Low78.8Confident139 Ų13954 Ų5465%0.6530%0.301SS*.Hα-helixtrans-64.2-38.6-176.7-69.4-171.4147.200114.1Q161 R162E159-Q161 PolarHBondContact O-N 2.91Å; E159-Q161 VanDerWaalsContact O-N 3.14Å; E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 3.47Å
160K54.8Low78.4Confident199 Ų19955.7 Ų55.787%0.86531%0.312SS*.Hα-helixtrans-59.9-28.5-176.9-70.6-172.1178.4-1780113.2G158G158-K160 PolarHBondContact O-N 3.49Å
161Q57.6Low78Confident93 Ų9356.2 Ų56.244%0.43532%0.318SS..Hα-helixtrans-87.1-17.8179.6-71.9174.9-21.400112.9L156 G158 E159 D164L156-Q161 HydrophobicContact CB-CB 4.27Å; L156-Q161 HydrophobicContact CD1-CB 3.85Å; L156-Q161 HydrophobicContact CD1-CG 4.21Å; G158-Q161 PolarHBondContact O-N 3.28Å; E159-Q161 PolarHBondContact O-N 2.91Å; E159-Q161 VanDerWaalsContact O-N 3.14Å; Q161-D164 PolarHBondContact O-N 3.04Å
162R56.5Low77.9Confident54 Ų5456.2 Ų56.220%0.20432%0.318CS..Hα-helixtrans-64-44.2173.8-71.3178.6-176.6163.9-0.4112.1E159 D164 D196 E197 R200E159-R162 WeakPolarHBondContact O-CB 3.31Å; E159-R162 PolarHBondContact O-N 3.47Å; R162-D164 PolarHBondContact O-N 3.46Å; R162-D196 VanDerWaalsContact NH2-C 3.34Å; R162-E197 WeakPolarHBondContact CG-OE2 3.31Å; R162-E197 IonicContact NE-OE2 3.01Å; R162-R200 VanDerWaalsContact NH1-CZ 3.3Å; R162-R200 VanDerWaalsContact NH1-NH1 3.12Å
163V56.1Low77.9Confident129 Ų12956.2 Ų56.278%0.78232%0.318SS*.THydrogen-bonded Turntrans-66.6-20.8-174.9-169.40000111.4
164D66.5Low78Confident131 Ų13158 Ų5870%0.70133%0.326SS*.THydrogen-bonded Turntrans-95.8-0.1-166.7-147.820.6000114.7Q161 R162Q161-D164 PolarHBondContact O-N 3.04Å; R162-D164 PolarHBondContact O-N 3.46Å
165R78.6Confident78.2Confident20 Ų2057.8 Ų57.88%0.07532%0.323CS..SBendtrans-75.4-34.1178.8-64.9-172.8-170.1-107.58.2112.7G154 Y167 E197G154-R165 PolarHBondContact O-NH2 3.14Å; R165-Y167 VanDerWaalsContact C-N 3.33Å; R165-Y167 HydrophobicContact CB-CD1 4.17Å; R165-Y167 HydrophobicContact CB-CE1 3.9Å; R165-Y167 WeakPolarHBondContact O-CD1 3.31Å; R165-Y167 WeakPolarHBondContact O-CE1 3.3Å; R165-E197 IonicContact CZ-OE1 2.71Å; R165-E197 IonicContact NE-OE1 3.4Å; R165-E197 IonicContact NH2-OE1 3.59Å; R165-E197 PolarHBondContact NH2-OE1 3.04Å
166G84.8Confident78.6Confident65 Ų6557.8 Ų57.867%0.6732%0.323SS*.  trans76.212.9-177.400000115.4
167Y90.6Very high79.4Confident28 Ų2855.9 Ų55.911%0.1131%0.313CS..SBendtrans-155.1163175.262.8-88.1000111.6F95 F130 R133 R165 F169 V172F95-Y167 AromaticContact CE2-CE2 3.97Å; F95-Y167 HydrophobicContact CE2-CE2 3.97Å; F130-Y167 HydrophobicContact CB-CD1 4.19Å; F130-Y167 HydrophobicContact CB-CD2 3.99Å; F130-Y167 HydrophobicContact CB-CG 3.71Å; F130-Y167 AromaticContact CD2-CD2 3.78Å; F130-Y167 HydrophobicContact CD2-CD2 3.78Å; F130-Y167 AromaticContact CD2-CE2 3.78Å; F130-Y167 HydrophobicContact CD2-CE2 3.78Å; F130-Y167 HydrophobicContact CD2-CG 4.28Å; F130-Y167 HydrophobicContact CG-CD2 4.32Å; F130-Y167 HydrophobicContact CG-CG 4.49Å; R133-Y167 HydrophobicContact CB-CE1 4.32Å; R133-Y167 HydrophobicContact CG-CE1 4.41Å; R165-Y167 VanDerWaalsContact C-N 3.33Å; R165-Y167 HydrophobicContact CB-CD1 4.17Å; R165-Y167 HydrophobicContact CB-CE1 3.9Å; R165-Y167 WeakPolarHBondContact O-CD1 3.31Å; R165-Y167 WeakPolarHBondContact O-CE1 3.3Å; Y167-F169 HydrophobicContact CE2-CB 4.21Å; Y167-F169 HydrophobicContact CE2-CD2 4.04Å; Y167-F169 PolarHBondContact O-N 3.37Å; Y167-F169 VanDerWaalsContact O-N 3.08Å; Y167-V172 HydrophobicContact CD2-CG2 4.15Å; Y167-V172 HydrophobicContact CE2-CG2 4.46Å
168D89.4Confident80.4Confident93 Ų9354.4 Ų54.450%0.49730%0.296SS..  trans-75.192177177.413.5000111.7F126 S170 G171 V172F126-D168 HydrophobicContact CD1-CB 4.43Å; D168-S170 PolarHBondContact OD1-N 3.25Å; D168-G171 PolarHBondContact OD1-N 3.45Å; D168-G171 WeakPolarHBondContact OD2-CA 3.15Å; D168-G171 PolarHBondContact OD2-N 2.88Å; D168-V172 VanDerWaalsContact O-CG2 3.28Å; D168-V172 WeakPolarHBondContact O-CG2 3.32Å; D168-V172 PolarHBondContact O-N 2.97Å; D168-V172 VanDerWaalsContact O-N 3.14Å
169F90.8Very high81.7Confident10 Ų1054.2 Ų54.24%0.04429%0.285CS..Hα-helixtrans-62.7-41.1-180-176.7-94.4000113.1F95 P153 I155 Y167 V172 I173 V201F95-F169 HydrophobicContact CE1-CE2 4.46Å; F95-F169 AromaticContact CE2-CD2 3.74Å; F95-F169 HydrophobicContact CE2-CD2 3.74Å; F95-F169 AromaticContact CE2-CE2 3.6Å; F95-F169 HydrophobicContact CE2-CE2 3.6Å; F95-F169 AromaticContact CZ-CD2 3.73Å; F95-F169 HydrophobicContact CZ-CD2 3.73Å; F95-F169 AromaticContact CZ-CE2 3.38Å; F95-F169 HydrophobicContact CZ-CE2 3.38Å; F95-F169 HydrophobicContact CZ-CZ 4.07Å; P153-F169 HydrophobicContact CB-CE2 4.14Å; P153-F169 HydrophobicContact CG-CE2 4.11Å; I155-F169 HydrophobicContact CD1-CE1 4.18Å; I155-F169 HydrophobicContact CG1-CE1 3.79Å; I155-F169 HydrophobicContact CG1-CZ 3.96Å; Y167-F169 HydrophobicContact CE2-CB 4.21Å; Y167-F169 HydrophobicContact CE2-CD2 4.04Å; Y167-F169 PolarHBondContact O-N 3.37Å; Y167-F169 VanDerWaalsContact O-N 3.08Å; F169-V172 PolarHBondContact O-N 3.31Å; F169-I173 HydrophobicContact CD1-CG1 4.11Å; F169-I173 HydrophobicContact CE1-CD1 4.21Å; F169-I173 HydrophobicContact CE1-CG1 3.69Å; F169-I173 HydrophobicContact CZ-CD1 4.03Å; F169-I173 HydrophobicContact CZ-CG1 3.95Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 2.73Å; F169-V201 HydrophobicContact CD1-CG2 4.17Å; F169-V201 HydrophobicContact CE1-CG2 3.97Å
170S89.9Confident83.4Confident34 Ų3447.6 Ų47.624%0.23825%0.254CS..Hα-helixtrans-67.2-42.7-178.8-70.50000111.3D168 V172 I173 E174D168-S170 PolarHBondContact OD1-N 3.25Å; S170-V172 VanDerWaalsContact C-N 3.33Å; S170-V172 PolarHBondContact O-N 3.39Å; S170-I173 PolarHBondContact O-N 3.43Å; S170-E174 WeakPolarHBondContact O-CB 3.45Å; S170-E174 PolarHBondContact O-N 3.47Å
171G90.7Very high85.3Confident12 Ų1238.5 Ų38.512%0.12422%0.215CC..Hα-helixtrans-63.5-36.217500000113.2F126 D168 E174 W175F126-G171 VanDerWaalsContact CZ-O 3.31Å; F126-G171 WeakPolarHBondContact CZ-O 3.24Å; D168-G171 PolarHBondContact OD1-N 3.45Å; D168-G171 WeakPolarHBondContact OD2-CA 3.15Å; D168-G171 PolarHBondContact OD2-N 2.88Å; G171-E174 PolarHBondContact O-N 3.11Å; G171-W175 WeakPolarHBondContact O-CB 3.29Å; G171-W175 PolarHBondContact O-N 2.89Å
172V94.8Very high87.1Confident0 Ų035.2 Ų35.20%020%0.198CC..Hα-helixtrans-64.5-46.3173.7172.20000111F95 F126 F130 Y167 D168 F169 S170 E174 W175 F176F95-V172 HydrophobicContact CD1-CG1 4.14Å; F95-V172 HydrophobicContact CD2-CG1 4.32Å; F95-V172 HydrophobicContact CE1-CG1 3.68Å; F95-V172 HydrophobicContact CE2-CG1 3.87Å; F95-V172 HydrophobicContact CG-CG1 4.43Å; F95-V172 HydrophobicContact CZ-CB 4.2Å; F95-V172 HydrophobicContact CZ-CG1 3.53Å; F126-V172 HydrophobicContact CB-CG2 4.17Å; F126-V172 HydrophobicContact CD1-CG2 3.64Å; F126-V172 HydrophobicContact CD2-CG2 3.67Å; F126-V172 HydrophobicContact CE1-CG2 3.85Å; F126-V172 HydrophobicContact CE2-CB 4.48Å; F126-V172 HydrophobicContact CE2-CG2 3.87Å; F126-V172 HydrophobicContact CG-CG2 3.55Å; F126-V172 HydrophobicContact CZ-CB 4.44Å; F126-V172 HydrophobicContact CZ-CG2 3.96Å; F130-V172 HydrophobicContact CD2-CG1 4.23Å; F130-V172 HydrophobicContact CD2-CG2 3.68Å; F130-V172 HydrophobicContact CE2-CB 4.27Å; F130-V172 HydrophobicContact CE2-CG1 3.48Å; F130-V172 VanDerWaalsContact CE2-CG1 3.48Å; F130-V172 HydrophobicContact CE2-CG2 3.77Å; F130-V172 HydrophobicContact CG-CG2 4.14Å; F130-V172 HydrophobicContact CZ-CG1 3.83Å; F130-V172 HydrophobicContact CZ-CG2 4.29Å; Y167-V172 HydrophobicContact CD2-CG2 4.15Å; Y167-V172 HydrophobicContact CE2-CG2 4.46Å; D168-V172 VanDerWaalsContact O-CG2 3.28Å; D168-V172 WeakPolarHBondContact O-CG2 3.32Å; D168-V172 PolarHBondContact O-N 2.97Å; D168-V172 VanDerWaalsContact O-N 3.14Å; F169-V172 PolarHBondContact O-N 3.31Å; S170-V172 VanDerWaalsContact C-N 3.33Å; S170-V172 PolarHBondContact O-N 3.39Å; V172-E174 VanDerWaalsContact C-N 3.33Å; V172-E174 PolarHBondContact O-N 3.4Å; V172-W175 WeakPolarHBondContact O-CB 3.21Å; V172-W175 PolarHBondContact O-N 3.38Å; V172-F176 HydrophobicContact CG1-CD2 3.82Å; V172-F176 HydrophobicContact CG1-CE2 3.77Å; V172-F176 WeakPolarHBondContact O-CD2 3.36Å; V172-F176 PolarHBondContact O-N 3.34Å
173I95.5Very high89Confident0 Ų032.6 Ų32.60%019%0.188CC..Hα-helixtrans-61.2-44.1177.8-69.5-73.2000110.8I62 F95 T152 F169 S170 W175 F176 A177 V201 L205I62-I173 HydrophobicContact CD1-CD1 4.23Å; I62-I173 HydrophobicContact CD1-CG2 3.66Å; I62-I173 HydrophobicContact CG1-CD1 4.2Å; F95-I173 HydrophobicContact CE1-CD1 3.69Å; F95-I173 HydrophobicContact CE1-CG1 4.35Å; F95-I173 HydrophobicContact CZ-CD1 3.96Å; F95-I173 HydrophobicContact CZ-CG1 4.22Å; T152-I173 HydrophobicContact CG2-CD1 3.82Å; F169-I173 HydrophobicContact CD1-CG1 4.11Å; F169-I173 HydrophobicContact CE1-CD1 4.21Å; F169-I173 HydrophobicContact CE1-CG1 3.69Å; F169-I173 HydrophobicContact CZ-CD1 4.03Å; F169-I173 HydrophobicContact CZ-CG1 3.95Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 2.73Å; S170-I173 PolarHBondContact O-N 3.43Å; I173-W175 VanDerWaalsContact C-N 3.32Å; I173-W175 PolarHBondContact O-N 3.22Å; I173-F176 PolarHBondContact O-N 2.92Å; I173-A177 VanDerWaalsContact O-CB 3.29Å; I173-A177 WeakPolarHBondContact O-CB 3.36Å; I173-A177 PolarHBondContact O-N 2.97Å; I173-V201 HydrophobicContact CG2-CG1 3.83Å; I173-L205 HydrophobicContact CG2-CD2 3.87Å
174E93.5Very high91Very high38 Ų3826.5 Ų26.518%0.17815%0.151CC..Hα-helixtrans-58.7-44.4176179.6161-134.500111.6S170 G171 V172 F176 A177 E178 V204 R356S170-E174 WeakPolarHBondContact O-CB 3.45Å; S170-E174 PolarHBondContact O-N 3.47Å; G171-E174 PolarHBondContact O-N 3.11Å; V172-E174 VanDerWaalsContact C-N 3.33Å; V172-E174 PolarHBondContact O-N 3.4Å; E174-F176 PolarHBondContact O-N 3.27Å; E174-A177 PolarHBondContact O-N 3.15Å; E174-E178 WeakPolarHBondContact O-CG 3.44Å; E174-E178 PolarHBondContact O-N 3.18Å; E174-V204 HydrophobicContact CB-CB 4.5Å; E174-V204 HydrophobicContact CB-CG2 4.35Å; E174-R356 IonicContact OE1-CZ 3.99Å; E174-R356 IonicContact OE1-NH1 3.51Å; E174-R356 PolarHBondContact OE1-NH1 3.48Å; E174-R356 IonicContact OE1-NH2 2.86Å; E174-R356 PolarHBondContact OE1-NH2 3.43Å; E174-R356 IonicContact OE2-CZ 2.9Å; E174-R356 IonicContact OE2-NH2 3.58Å; E174-R356 PolarHBondContact OE2-NH2 3.4Å
175W93.7Very high92.4Very high4 Ų420.3 Ų20.32%0.01512%0.118CC..Hα-helixtrans-60-43.2176.8-175.891.9000112.9Q119 F120 P122 L123 F126 G171 V172 I173 R179Q119-W175 WeakPolarHBondContact O-CH2 3.37Å; Q119-W175 WeakPolarHBondContact O-CZ2 3.34Å; F120-W175 HydrophobicContact CD1-CH2 4.02Å; F120-W175 HydrophobicContact CD1-CZ3 4.21Å; P122-W175 HydrophobicContact CB-CZ2 4.16Å; P122-W175 HydrophobicContact CG-CZ2 4.32Å; L123-W175 HydrophobicContact CD1-CE3 4.21Å; L123-W175 HydrophobicContact CD1-CH2 4.08Å; L123-W175 HydrophobicContact CD1-CZ3 3.81Å; L123-W175 HydrophobicContact CD2-CD2 3.45Å; L123-W175 VanDerWaalsContact CD2-CD2 3.45Å; L123-W175 HydrophobicContact CD2-CE3 3.38Å; L123-W175 HydrophobicContact CD2-CG 3.96Å; L123-W175 HydrophobicContact CD2-CH2 4.29Å; L123-W175 HydrophobicContact CD2-CZ2 4.34Å; L123-W175 HydrophobicContact CD2-CZ3 3.84Å; L123-W175 HydrophobicContact CG-CD2 4.08Å; L123-W175 HydrophobicContact CG-CE3 3.91Å; L123-W175 HydrophobicContact CG-CH2 3.89Å; L123-W175 HydrophobicContact CG-CZ2 4.04Å; L123-W175 HydrophobicContact CG-CZ3 3.82Å; F126-W175 HydrophobicContact CE2-CB 4.15Å; F126-W175 HydrophobicContact CE2-CG 4.35Å; F126-W175 HydrophobicContact CZ-CB 4.23Å; G171-W175 WeakPolarHBondContact O-CB 3.29Å; G171-W175 PolarHBondContact O-N 2.89Å; V172-W175 WeakPolarHBondContact O-CB 3.21Å; V172-W175 PolarHBondContact O-N 3.38Å; I173-W175 VanDerWaalsContact C-N 3.32Å; I173-W175 PolarHBondContact O-N 3.22Å; W175-R179 VanDerWaalsContact CZ2-CD 3.45Å
176F96.1Very high93.2Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-69.1-38.8175.8-82.9-70.9000111.6M58 L60 F95 F120 L123 F134 I150 V172 I173 E174 E178 R179 A180M58-F176 HydrophobicContact SD-CD1 3.77Å; M58-F176 HydrophobicContact SD-CE1 4.37Å; L60-F176 HydrophobicContact CD1-CB 3.88Å; L60-F176 HydrophobicContact CD1-CG 4.32Å; L60-F176 HydrophobicContact CD2-CB 3.76Å; L60-F176 HydrophobicContact CG-CB 4.41Å; F95-F176 HydrophobicContact CD1-CD2 4.18Å; F95-F176 AromaticContact CD1-CE2 3.85Å; F95-F176 HydrophobicContact CD1-CE2 3.85Å; F95-F176 HydrophobicContact CE1-CD2 4.28Å; F95-F176 HydrophobicContact CE1-CE2 4.33Å; F95-F176 HydrophobicContact CG-CE2 4.47Å; F120-F176 HydrophobicContact CD1-CE1 4.39Å; F120-F176 AromaticContact CE1-CE1 3.97Å; F120-F176 HydrophobicContact CE1-CE1 3.97Å; L123-F176 HydrophobicContact CD1-CE1 4.49Å; L123-F176 HydrophobicContact CD1-CE2 4.25Å; L123-F176 HydrophobicContact CD1-CZ 3.8Å; L123-F176 HydrophobicContact CD2-CE2 4.44Å; F134-F176 AromaticContact CE2-CZ 3.83Å; F134-F176 HydrophobicContact CE2-CZ 3.83Å; F134-F176 HydrophobicContact CZ-CZ 4.17Å; I150-F176 HydrophobicContact CD1-CD1 4.17Å; I150-F176 HydrophobicContact CD1-CE1 3.7Å; I150-F176 HydrophobicContact CG1-CD1 3.85Å; I150-F176 HydrophobicContact CG1-CE1 3.89Å; I150-F176 HydrophobicContact CG2-CD1 4.07Å; I150-F176 HydrophobicContact CG2-CD2 4.48Å; I150-F176 HydrophobicContact CG2-CE1 3.97Å; I150-F176 HydrophobicContact CG2-CE2 4.41Å; I150-F176 HydrophobicContact CG2-CG 4.33Å; I150-F176 HydrophobicContact CG2-CZ 4.16Å; V172-F176 HydrophobicContact CG1-CD2 3.82Å; V172-F176 HydrophobicContact CG1-CE2 3.77Å; V172-F176 WeakPolarHBondContact O-CD2 3.36Å; V172-F176 PolarHBondContact O-N 3.34Å; I173-F176 PolarHBondContact O-N 2.92Å; E174-F176 PolarHBondContact O-N 3.27Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 3.41Å; F176-R179 CarbonylContact O-C 3.43Å; F176-R179 PolarHBondContact O-N 2.94Å; F176-R179 VanDerWaalsContact O-N 3.1Å; F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.06Å
177A94.6Very high93.8Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-63.2-38.5-179.400000112.5L60 I173 E174 R179 A180 I183 L205 N208L60-A177 HydrophobicContact CD2-CB 4.2Å; I173-A177 VanDerWaalsContact O-CB 3.29Å; I173-A177 WeakPolarHBondContact O-CB 3.36Å; I173-A177 PolarHBondContact O-N 2.97Å; E174-A177 PolarHBondContact O-N 3.15Å; A177-R179 PolarHBondContact O-N 3.41Å; A177-A180 PolarHBondContact O-N 2.86Å; A177-I183 HydrophobicContact CB-CD1 3.72Å; A177-L205 HydrophobicContact CB-CD2 3.3Å; A177-N208 PolarHBondContact O-OD1 3.23Å
178E91.2Very high93.9Very high60 Ų6015.4 Ų15.428%0.288%0.08SC..Hα-helixtrans-59.4-32.5173.9-73-178.4165.100112.5S45 E174 F176 K211S45-E178 VanDerWaalsContact CB-OE2 3.27Å; S45-E178 WeakPolarHBondContact CB-OE2 3.12Å; E174-E178 WeakPolarHBondContact O-CG 3.44Å; E174-E178 PolarHBondContact O-N 3.18Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 3.41Å; E178-K211 PolarHBondContact O-NZ 3Å
179R91.6Very high94.1Very high30 Ų3011 Ų1111%0.1136%0.057CC..Hα-helixtrans-98.2-14.9-177.3-74.1169.216767.56.9114.3D52 W175 F176 A177D52-R179 IonicContact OD1-CZ 3.63Å; D52-R179 IonicContact OD1-NE 3.26Å; D52-R179 PolarHBondContact OD1-NE 2.96Å; D52-R179 IonicContact OD1-NH2 2.63Å; D52-R179 PolarHBondContact OD1-NH2 3.39Å; D52-R179 VanDerWaalsContact OD1-NH2 3.09Å; D52-R179 IonicContact OD2-NH2 2.79Å; W175-R179 VanDerWaalsContact CZ2-CD 3.45Å; F176-R179 CarbonylContact O-C 3.43Å; F176-R179 PolarHBondContact O-N 2.94Å; F176-R179 VanDerWaalsContact O-N 3.1Å; A177-R179 PolarHBondContact O-N 3.41Å
180A94.4Very high93.9Very high0 Ų017 Ų170%08%0.084CC..  trans-71.4148.5179.100000110.9L60 F176 A177 I183 K211L60-A180 HydrophobicContact CB-CB 3.95Å; F176-A180 WeakPolarHBondContact O-CB 3.38Å; F176-A180 PolarHBondContact O-N 3.06Å; A177-A180 PolarHBondContact O-N 2.86Å; A180-I183 HydrophobicContact CB-CG1 3.99Å; A180-K211 WeakPolarHBondContact O-CD 3.43Å; A180-K211 WeakPolarHBondContact O-CE 3.41Å; A180-K211 PolarHBondContact O-NZ 3.49Å
181D93.8Very high93.5Very high8 Ų821.6 Ų21.64%0.04310%0.1CC..SBendtrans-93.2-25.9169.8-67.4-99.2000111.6P57 M58 R290P57-D181 WeakPolarHBondContact CA-OD2 3.36Å; P57-D181 HydrophobicContact CB-CB 4.25Å; M58-D181 PolarHBondContact N-OD2 3.04Å; M58-D181 PolarHBondContact O-N 3.06Å; D181-R290 IonicContact OD1-NH1 3.5Å
182R95.1Very high93.1Very high23 Ų2322.5 Ų22.59%0.08710%0.102CC..EExtended strand (participates in β ladder)trans-142.3142.9173-70.5-66.9179.1-10711.4110.7M58 V59 L60 K211 D279 L280 L283 R290M58-R182 PolarHBondContact O-N 2.89Å; V59-R182 WeakPolarHBondContact CA-O 3.34Å; V59-R182 HydrophobicContact CG1-CB 4.39Å; V59-R182 HydrophobicContact CG2-CB 4.31Å; L60-R182 PolarHBondContact N-O 3.04Å; R182-K211 WeakPolarHBondContact CA-O 3.44Å; R182-D279 IonicContact CZ-OD1 3.4Å; R182-D279 IonicContact NE-OD1 3Å; R182-D279 PolarHBondContact NE-OD1 3.1Å; R182-D279 VanDerWaalsContact NE-OD1 3.07Å; R182-D279 IonicContact NE-OD2 2.71Å; R182-D279 PolarHBondContact NE-OD2 3.03Å; R182-D279 IonicContact NH2-OD1 2.95Å; R182-D279 PolarHBondContact NH2-OD1 3.12Å; R182-L280 HydrophobicContact CG-CD2 4.41Å; R182-L283 HydrophobicContact CB-CD1 4.28Å; R182-L283 HydrophobicContact CG-CD1 3.7Å; R182-L283 HydrophobicContact CG-CD2 3.41Å; R182-L283 VanDerWaalsContact CG-CD2 3.41Å; R182-L283 HydrophobicContact CG-CG 4.17Å; R182-R290 VanDerWaalsContact NH1-NE 3.12Å
183I96.9Very high92.5Very high0 Ų029.2 Ų29.20%014%0.138CC..EExtended strand (participates in β ladder)trans-122.4113.7175.1-55.8169.3000107.1L60 I62 A177 A180 L185 L205 N208 K211 I212 R213L60-I183 HydrophobicContact CB-CG1 4.43Å; L60-I183 HydrophobicContact CD2-CG1 4.45Å; L60-I183 HydrophobicContact CD2-CG2 4.45Å; L60-I183 CarbonylContact O-C 3.17Å; L60-I183 WeakPolarHBondContact O-CA 3.38Å; I62-I183 HydrophobicContact CD1-CG2 3.74Å; I62-I183 HydrophobicContact CG1-CG2 4.38Å; A177-I183 HydrophobicContact CB-CD1 3.72Å; A180-I183 HydrophobicContact CB-CG1 3.99Å; I183-L185 HydrophobicContact CG2-CD2 4.13Å; I183-L205 HydrophobicContact CD1-CD2 4.21Å; I183-L205 HydrophobicContact CG2-CD1 4.14Å; I183-N208 HydrophobicContact CD1-CB 3.88Å; I183-K211 HydrophobicContact CD1-CB 4.25Å; I183-K211 HydrophobicContact CG1-CB 4.29Å; I183-K211 PolarHBondContact N-O 3.1Å; I183-I212 HydrophobicContact CB-CG1 4.26Å; I183-I212 CarbonylContact O-C 3.34Å; I183-I212 VanDerWaalsContact O-CA 3.32Å; I183-I212 WeakPolarHBondContact O-CA 3.34Å; I183-R213 PolarHBondContact O-N 2.88Å
184I97.6Very high92Very high1 Ų130.9 Ų30.91%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-98.1114.6179.5-56.4-178.5000108.7V59 L60 I62 F72 L186 R213 V215 L280V59-I184 HydrophobicContact CG1-CD1 3.64Å; V59-I184 HydrophobicContact CG1-CG1 3.94Å; L60-I184 PolarHBondContact O-N 3.48Å; I62-I184 PolarHBondContact N-O 3.48Å; F72-I184 HydrophobicContact CE1-CD1 3.76Å; F72-I184 HydrophobicContact CZ-CD1 4.14Å; I184-L186 HydrophobicContact CB-CD1 4.23Å; I184-L186 HydrophobicContact CG2-CD1 3.59Å; I184-L186 HydrophobicContact CG2-CG 4.08Å; I184-R213 CarbonylContact C-O 3.59Å; I184-R213 WeakPolarHBondContact CA-O 3.35Å; I184-V215 HydrophobicContact CG2-CB 4.19Å; I184-V215 HydrophobicContact CG2-CG2 3.56Å; I184-L280 HydrophobicContact CD1-CD1 4.28Å; I184-L280 HydrophobicContact CD1-CD2 4.19Å
185L96.6Very high91.7Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-91108.4171.1-54.9-175.8000109.4I62 I183 F187 I202 L205 I212 R213 I214 V215I62-L185 HydrophobicContact CB-CD2 3.84Å; I62-L185 HydrophobicContact CD1-CD2 4.28Å; I62-L185 HydrophobicContact CG2-CD2 4.3Å; I62-L185 CarbonylContact O-C 3.55Å; I62-L185 WeakPolarHBondContact O-CA 3.49Å; I183-L185 HydrophobicContact CG2-CD2 4.13Å; L185-F187 HydrophobicContact CB-CE2 3.85Å; L185-I202 HydrophobicContact CD1-CG1 4.17Å; L185-L205 HydrophobicContact CD2-CD1 3.89Å; L185-I212 HydrophobicContact CD1-CG2 3.74Å; L185-I212 HydrophobicContact CG-CG2 3.91Å; L185-R213 PolarHBondContact N-O 2.84Å; L185-I214 HydrophobicContact CB-CG1 4.44Å; L185-I214 WeakPolarHBondContact O-CA 3.46Å; L185-V215 PolarHBondContact O-N 3.4Å
186L96.3Very high91.3Very high0 Ų034.8 Ų34.80%017%0.17CC..EExtended strand (participates in β ladder)trans-91.9127.6178.3-73.199.6000111.7L61 I62 T67 K69 F72 I184 V215 N217L61-L186 HydrophobicContact CB-CD1 4.09Å; L61-L186 HydrophobicContact CD2-CD1 3.98Å; L61-L186 HydrophobicContact CG-CD1 4.17Å; I62-L186 PolarHBondContact O-N 2.94Å; T67-L186 WeakPolarHBondContact CB-O 3.42Å; T67-L186 WeakPolarHBondContact CG2-O 3.37Å; T67-L186 PolarHBondContact OG1-O 2.99Å; K69-L186 HydrophobicContact CG-CD1 4.06Å; F72-L186 HydrophobicContact CB-CD2 4.05Å; F72-L186 HydrophobicContact CD2-CD2 4.19Å; F72-L186 HydrophobicContact CG-CD2 4.18Å; I184-L186 HydrophobicContact CB-CD1 4.23Å; I184-L186 HydrophobicContact CG2-CD1 3.59Å; I184-L186 HydrophobicContact CG2-CG 4.08Å; L186-V215 WeakPolarHBondContact CA-O 3.47Å; L186-V215 HydrophobicContact CG-CB 4.35Å; L186-N217 HydrophobicContact CD2-CB 4.31Å
187F95.6Very high90.8Very high2 Ų235.4 Ų35.41%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-115145.1172.3-66.6-97.6000109.6L185 L192 I194 F198 I202 I214 V215 L216 N217 L234 L238L185-F187 HydrophobicContact CB-CE2 3.85Å; F187-L192 HydrophobicContact CB-CD2 4.5Å; F187-I194 HydrophobicContact CE1-CD1 3.85Å; F187-I194 HydrophobicContact CE1-CG1 3.98Å; F187-I194 HydrophobicContact CZ-CD1 4.4Å; F187-F198 HydrophobicContact CD1-CE1 4.15Å; F187-F198 HydrophobicContact CE1-CD1 4.33Å; F187-F198 AromaticContact CE1-CE1 3.47Å; F187-F198 HydrophobicContact CE1-CE1 3.47Å; F187-F198 VanDerWaalsContact CE1-CE1 3.47Å; F187-F198 HydrophobicContact CE1-CZ 4.23Å; F187-F198 HydrophobicContact CE2-CE1 4.32Å; F187-F198 HydrophobicContact CE2-CZ 4.3Å; F187-F198 AromaticContact CZ-CE1 3.56Å; F187-F198 HydrophobicContact CZ-CE1 3.56Å; F187-F198 AromaticContact CZ-CZ 3.87Å; F187-F198 HydrophobicContact CZ-CZ 3.87Å; F187-I202 HydrophobicContact CZ-CD1 4.49Å; F187-I214 HydrophobicContact CD2-CG2 3.7Å; F187-I214 HydrophobicContact CE2-CG2 3.72Å; F187-V215 PolarHBondContact N-O 2.95Å; F187-L216 HydrophobicContact CB-CD1 4.14Å; F187-N217 PolarHBondContact O-N 2.96Å; F187-L234 HydrophobicContact CB-CD2 4.43Å; F187-L234 HydrophobicContact CD1-CD1 3.51Å; F187-L234 HydrophobicContact CD2-CD1 4.12Å; F187-L234 HydrophobicContact CD2-CD2 4.45Å; F187-L234 HydrophobicContact CE1-CD1 3.59Å; F187-L234 HydrophobicContact CE2-CD1 4.21Å; F187-L234 HydrophobicContact CG-CD1 3.79Å; F187-L234 HydrophobicContact CG-CD2 4.33Å; F187-L234 HydrophobicContact CZ-CD1 3.96Å; F187-L238 HydrophobicContact CE2-CD2 4.33Å; F187-L238 HydrophobicContact CZ-CD2 3.91Å
188D93.6Very high90.6Very high9 Ų935.4 Ų35.45%0.04817%0.173CC..EExtended strand (participates in β ladder)trans-89.9124.4173.6-172.6-36.6000108.2T67 H190 K191 K218T67-D188 HydrophobicContact CG2-CB 4.25Å; D188-H190 PolarHBondContact O-N 2.99Å; D188-H190 VanDerWaalsContact O-N 3.11Å; D188-H190 WeakPolarHBondContact OD1-CB 3.44Å; D188-H190 PolarHBondContact OD1-N 3.4Å; D188-K191 HydrophobicContact CB-CB 4.25Å; D188-K191 CarbonylContact O-C 3.59Å; D188-K191 VanDerWaalsContact O-C 3.27Å; D188-K191 PolarHBondContact O-N 3.17Å; D188-K218 WeakPolarHBondContact OD2-CD 3.47Å; D188-K218 WeakPolarHBondContact OD2-CE 3.39Å; D188-K218 IonicContact OD2-NZ 3.8Å; D188-K218 PolarHBondContact OD2-NZ 2.85Å
189A93Very high90.6Very high1 Ų137.3 Ų37.31%0.00818%0.178CC..THydrogen-bonded Turntrans-58.8-23.4-18000000113.5L216 N217 A219 I222 V230A189-L216 HydrophobicContact CB-CD1 3.98Å; A189-L216 HydrophobicContact CB-CG 4.09Å; A189-N217 WeakPolarHBondContact CB-O 3.41Å; A189-N217 PolarHBondContact N-O 3.26Å; A189-A219 HydrophobicContact CB-CB 4.49Å; A189-I222 HydrophobicContact CB-CD1 3.84Å; A189-I222 HydrophobicContact CB-CG1 4.31Å; A189-V230 HydrophobicContact CB-CG1 4.41Å; A189-V230 WeakPolarHBondContact O-CG1 3.35Å; A189-V230 WeakPolarHBondContact O-CG2 3.29Å
190H87.2Confident90.4Very high134 Ų13441.5 Ų41.562%0.6219%0.193SC*.THydrogen-bonded Turntrans-89.6-15.8176.9-152.983.7000113.3D188D188-H190 PolarHBondContact O-N 2.99Å; D188-H190 VanDerWaalsContact O-N 3.11Å; D188-H190 WeakPolarHBondContact OD1-CB 3.44Å; D188-H190 PolarHBondContact OD1-N 3.4Å
191K82.7Confident90.3Very high132 Ų13241.5 Ų41.557%0.57419%0.193SC*.BIsolated β-bridgetrans-140.589.4-175.3-63.2-178.2-177.5178.90111.5D188D188-K191 HydrophobicContact CB-CB 4.25Å; D188-K191 CarbonylContact O-C 3.59Å; D188-K191 VanDerWaalsContact O-C 3.27Å; D188-K191 PolarHBondContact O-N 3.17Å
192L80.7Confident90.2Very high30 Ų3041.1 Ų41.116%0.15719%0.191CC..  trans-90.3-7.5-176.9-70.4-177.6000115.7F187 I194 L216 V230 A233 L234F187-L192 HydrophobicContact CB-CD2 4.5Å; L192-I194 PolarHBondContact O-N 3.43Å; L192-I194 VanDerWaalsContact O-N 3.11Å; L192-L216 HydrophobicContact CD2-CD1 3.87Å; L192-V230 HydrophobicContact CD1-CB 3.84Å; L192-V230 HydrophobicContact CD1-CG1 3.49Å; L192-V230 VanDerWaalsContact CD1-CG1 3.49Å; L192-V230 HydrophobicContact CD1-CG2 4.15Å; L192-V230 WeakPolarHBondContact CD1-O 3.36Å; L192-V230 HydrophobicContact CD2-CG1 3.85Å; L192-V230 HydrophobicContact CG-CG1 3.84Å; L192-A233 HydrophobicContact CD1-CB 4.01Å; L192-L234 HydrophobicContact CD1-CB 4.39Å; L192-L234 HydrophobicContact CD2-CB 4.16Å; L192-L234 HydrophobicContact CD2-CD1 4.43Å
193D82Confident89.9Confident141 Ų14143 Ų4375%0.75420%0.201SC*.  trans-59.2117.9-175.6-65.8-37.9000110.9Q64 S195Q64-D193 PolarHBondContact NE2-O 3.19Å; Q64-D193 PolarHBondContact OE1-O 3.3Å; D193-S195 PolarHBondContact O-N 3.36Å
194I86.3Confident89.6Confident36 Ų3643.9 Ų43.919%0.18521%0.207CC..  trans-87.6104.4177.6-52.4-173.8000108.3F187 L192 F198 R199 I202 I241F187-I194 HydrophobicContact CE1-CD1 3.85Å; F187-I194 HydrophobicContact CE1-CG1 3.98Å; F187-I194 HydrophobicContact CZ-CD1 4.4Å; L192-I194 PolarHBondContact O-N 3.43Å; L192-I194 VanDerWaalsContact O-N 3.11Å; I194-F198 HydrophobicContact CG2-CB 4.21Å; I194-F198 HydrophobicContact CG2-CD1 3.87Å; I194-F198 HydrophobicContact CG2-CG 4.31Å; I194-R199 HydrophobicContact CG2-CB 4.32Å; I194-I202 HydrophobicContact CG2-CD1 4.43Å; I194-I241 HydrophobicContact CB-CD1 4.37Å; I194-I241 HydrophobicContact CD1-CD1 3.62Å; I194-I241 HydrophobicContact CG2-CD1 3.82Å
195S86.1Confident89.3Confident18 Ų1843.9 Ų43.913%0.12621%0.207CC..  trans-61155.1175.160.90000112.4Q64 D193 E197 F198 R199Q64-S195 PolarHBondContact OE1-OG 3Å; D193-S195 PolarHBondContact O-N 3.36Å; S195-E197 PolarHBondContact O-N 3.03Å; S195-F198 PolarHBondContact O-N 3.45Å; S195-F198 WeakPolarHBondContact OG-CB 3.26Å; S195-F198 PolarHBondContact OG-N 3.09Å; S195-R199 PolarHBondContact O-N 2.9Å
196D85.5Confident88.7Confident106 Ų10647.6 Ų47.657%0.56722%0.223SC*.Hα-helixtrans-57.9-31.6176.2-71.2-30.1000113R162 R200R162-D196 VanDerWaalsContact NH2-C 3.34Å; D196-R200 VanDerWaalsContact O-CG 3.27Å; D196-R200 WeakPolarHBondContact O-CG 3.47Å; D196-R200 PolarHBondContact O-N 3.48Å
197E86.1Confident88Confident12 Ų1251.3 Ų51.36%0.05625%0.249CC..Hα-helixtrans-69.9-43.6176.7-169.9175.2150.500110.3I155 R162 R165 S195 R199 R200 V201I155-E197 HydrophobicContact CG2-CB 3.79Å; I155-E197 HydrophobicContact CG2-CG 3.68Å; R162-E197 WeakPolarHBondContact CG-OE2 3.31Å; R162-E197 IonicContact NE-OE2 3.01Å; R165-E197 IonicContact CZ-OE1 2.71Å; R165-E197 IonicContact NE-OE1 3.4Å; R165-E197 IonicContact NH2-OE1 3.59Å; R165-E197 PolarHBondContact NH2-OE1 3.04Å; S195-E197 PolarHBondContact O-N 3.03Å; E197-R199 VanDerWaalsContact C-N 3.33Å; E197-R199 PolarHBondContact O-N 3.49Å; E197-R200 PolarHBondContact O-N 3.12Å; E197-V201 WeakPolarHBondContact O-CG2 3.45Å; E197-V201 PolarHBondContact O-N 3.24Å
198F90.9Very high87.6Confident0 Ų051.7 Ų51.70%025%0.251CS..Hα-helixtrans-66.5-38.4176.7-170.3-153.8000111.6I62 Q64 I155 F187 I194 S195 R200 V201 I202I62-F198 HydrophobicContact CG2-CD2 4.49Å; I62-F198 HydrophobicContact CG2-CE2 3.9Å; Q64-F198 HydrophobicContact CG-CB 3.94Å; Q64-F198 HydrophobicContact CG-CD1 3.61Å; Q64-F198 HydrophobicContact CG-CE1 4.27Å; Q64-F198 HydrophobicContact CG-CG 3.91Å; I155-F198 HydrophobicContact CD1-CB 4.38Å; I155-F198 HydrophobicContact CD1-CD2 3.4Å; I155-F198 VanDerWaalsContact CD1-CD2 3.4Å; I155-F198 HydrophobicContact CD1-CE2 4.01Å; I155-F198 HydrophobicContact CD1-CG 4.19Å; I155-F198 HydrophobicContact CG2-CB 3.99Å; F187-F198 HydrophobicContact CD1-CE1 4.15Å; F187-F198 HydrophobicContact CE1-CD1 4.33Å; F187-F198 AromaticContact CE1-CE1 3.47Å; F187-F198 HydrophobicContact CE1-CE1 3.47Å; F187-F198 VanDerWaalsContact CE1-CE1 3.47Å; F187-F198 HydrophobicContact CE1-CZ 4.23Å; F187-F198 HydrophobicContact CE2-CE1 4.32Å; F187-F198 HydrophobicContact CE2-CZ 4.3Å; F187-F198 AromaticContact CZ-CE1 3.56Å; F187-F198 HydrophobicContact CZ-CE1 3.56Å; F187-F198 AromaticContact CZ-CZ 3.87Å; F187-F198 HydrophobicContact CZ-CZ 3.87Å; I194-F198 HydrophobicContact CG2-CB 4.21Å; I194-F198 HydrophobicContact CG2-CD1 3.87Å; I194-F198 HydrophobicContact CG2-CG 4.31Å; S195-F198 PolarHBondContact O-N 3.45Å; S195-F198 WeakPolarHBondContact OG-CB 3.26Å; S195-F198 PolarHBondContact OG-N 3.09Å; F198-R200 PolarHBondContact O-N 3.01Å; F198-V201 HydrophobicContact CD2-CB 4.5Å; F198-V201 WeakPolarHBondContact O-CB 3.41Å; F198-V201 PolarHBondContact O-N 3.43Å; F198-I202 HydrophobicContact CD1-CD1 4.29Å; F198-I202 HydrophobicContact CD2-CD1 4.1Å; F198-I202 HydrophobicContact CD2-CG1 4.06Å; F198-I202 HydrophobicContact CE1-CD1 4.18Å; F198-I202 HydrophobicContact CE2-CD1 3.98Å; F198-I202 HydrophobicContact CE2-CG1 3.91Å; F198-I202 HydrophobicContact CG-CD1 4.27Å; F198-I202 HydrophobicContact CZ-CD1 4.03Å; F198-I202 HydrophobicContact CZ-CG1 4.4Å; F198-I202 WeakPolarHBondContact O-CG1 3.49Å; F198-I202 PolarHBondContact O-N 2.66Å
199R90.3Very high87.3Confident100 Ų10055.9 Ų55.938%0.37727%0.27SS..Hα-helixtrans-56.7-48.4172.4-177.2177.5-180-72-12.7111.6I194 S195 E197 V201 I202 E203 I241I194-R199 HydrophobicContact CG2-CB 4.32Å; S195-R199 PolarHBondContact O-N 2.9Å; E197-R199 VanDerWaalsContact C-N 3.33Å; E197-R199 PolarHBondContact O-N 3.49Å; R199-V201 VanDerWaalsContact C-N 3.32Å; R199-V201 PolarHBondContact O-N 3.3Å; R199-I202 PolarHBondContact O-N 3.32Å; R199-E203 IonicContact CZ-OE1 2.72Å; R199-E203 IonicContact NE-OE1 3.01Å; R199-E203 IonicContact NH1-OE1 3.52Å; R199-E203 PolarHBondContact NH1-OE1 2.79Å; R199-E203 IonicContact NH1-OE2 3.83Å; R199-E203 PolarHBondContact NH1-OE2 3.13Å; R199-E203 IonicContact NH2-OE1 3.42Å; R199-E203 PolarHBondContact NH2-OE1 3.32Å; R199-E203 WeakPolarHBondContact O-CG 3.43Å; R199-E203 PolarHBondContact O-N 2.91Å; R199-I241 HydrophobicContact CG-CD1 4.18Å; R199-I241 HydrophobicContact CG-CG1 4.19Å; R199-I241 HydrophobicContact CG-CG2 4.33Å
200R87.8Confident87.1Confident118 Ų11859.3 Ų59.345%0.44529%0.288SS..Hα-helixtrans-61.3-40.4176.2-72.2171.9-166.4-174.42.5112.1R162 D196 E197 F198 E203 V204R162-R200 VanDerWaalsContact NH1-CZ 3.3Å; R162-R200 VanDerWaalsContact NH1-NH1 3.12Å; D196-R200 VanDerWaalsContact O-CG 3.27Å; D196-R200 WeakPolarHBondContact O-CG 3.47Å; D196-R200 PolarHBondContact O-N 3.48Å; E197-R200 PolarHBondContact O-N 3.12Å; F198-R200 PolarHBondContact O-N 3.01Å; R200-E203 WeakPolarHBondContact O-CB 3.32Å; R200-E203 PolarHBondContact O-N 3.2Å; R200-V204 PolarHBondContact O-N 3.36Å; R200-V204 VanDerWaalsContact O-N 3.1Å
201V91.9Very high87.2Confident0 Ų053.1 Ų53.10%026%0.259CS..Hα-helixtrans-61.2-47.1174.7169.60000110.5I62 I155 F169 I173 E197 F198 R199 E203 V204 L205I62-V201 HydrophobicContact CD1-CG1 4.49Å; I62-V201 HydrophobicContact CG2-CG1 3.83Å; I155-V201 HydrophobicContact CD1-CB 4.01Å; I155-V201 HydrophobicContact CD1-CG1 3.99Å; I155-V201 HydrophobicContact CD1-CG2 3.9Å; F169-V201 HydrophobicContact CD1-CG2 4.17Å; F169-V201 HydrophobicContact CE1-CG2 3.97Å; I173-V201 HydrophobicContact CG2-CG1 3.83Å; E197-V201 WeakPolarHBondContact O-CG2 3.45Å; E197-V201 PolarHBondContact O-N 3.24Å; F198-V201 HydrophobicContact CD2-CB 4.5Å; F198-V201 WeakPolarHBondContact O-CB 3.41Å; F198-V201 PolarHBondContact O-N 3.43Å; R199-V201 VanDerWaalsContact C-N 3.32Å; R199-V201 PolarHBondContact O-N 3.3Å; V201-E203 PolarHBondContact O-N 2.71Å; V201-V204 WeakPolarHBondContact O-CG2 3.34Å; V201-V204 PolarHBondContact O-N 3.12Å; V201-L205 HydrophobicContact CG1-CD1 4.43Å; V201-L205 VanDerWaalsContact O-CG 3.32Å; V201-L205 WeakPolarHBondContact O-CG 3.49Å; V201-L205 PolarHBondContact O-N 2.7Å
202I92.3Very high87.7Confident0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-61.9-35.7176.8-62.6165.2000111.1L185 F187 I194 F198 R199 V204 L205 I241 L242L185-I202 HydrophobicContact CD1-CG1 4.17Å; F187-I202 HydrophobicContact CZ-CD1 4.49Å; I194-I202 HydrophobicContact CG2-CD1 4.43Å; F198-I202 HydrophobicContact CD1-CD1 4.29Å; F198-I202 HydrophobicContact CD2-CD1 4.1Å; F198-I202 HydrophobicContact CD2-CG1 4.06Å; F198-I202 HydrophobicContact CE1-CD1 4.18Å; F198-I202 HydrophobicContact CE2-CD1 3.98Å; F198-I202 HydrophobicContact CE2-CG1 3.91Å; F198-I202 HydrophobicContact CG-CD1 4.27Å; F198-I202 HydrophobicContact CZ-CD1 4.03Å; F198-I202 HydrophobicContact CZ-CG1 4.4Å; F198-I202 WeakPolarHBondContact O-CG1 3.49Å; F198-I202 PolarHBondContact O-N 2.66Å; R199-I202 PolarHBondContact O-N 3.32Å; I202-V204 PolarHBondContact O-N 2.78Å; I202-L205 WeakPolarHBondContact O-CB 3.41Å; I202-L205 PolarHBondContact O-N 3.36Å; I202-L205 VanDerWaalsContact O-N 3.15Å; I202-I241 HydrophobicContact CB-CG2 3.9Å; I202-I241 HydrophobicContact CG2-CG2 3.51Å; I202-L242 HydrophobicContact CG2-CD2 3.73Å
203E89.6Confident88.4Confident62 Ų6248.8 Ų48.829%0.2924%0.238SC..Hα-helixtrans-64.1-36.3176.7-74.1172.4152.100113.4R199 R200 V201 L205 K206R199-E203 IonicContact CZ-OE1 2.72Å; R199-E203 IonicContact NE-OE1 3.01Å; R199-E203 IonicContact NH1-OE1 3.52Å; R199-E203 PolarHBondContact NH1-OE1 2.79Å; R199-E203 IonicContact NH1-OE2 3.83Å; R199-E203 PolarHBondContact NH1-OE2 3.13Å; R199-E203 IonicContact NH2-OE1 3.42Å; R199-E203 PolarHBondContact NH2-OE1 3.32Å; R199-E203 WeakPolarHBondContact O-CG 3.43Å; R199-E203 PolarHBondContact O-N 2.91Å; R200-E203 WeakPolarHBondContact O-CB 3.32Å; R200-E203 PolarHBondContact O-N 3.2Å; V201-E203 PolarHBondContact O-N 2.71Å; E203-L205 PolarHBondContact O-N 3.46Å; E203-K206 WeakPolarHBondContact O-CG 3.44Å; E203-K206 PolarHBondContact O-N 2.79Å
204V88.8Confident89.1Confident20 Ų2042.1 Ų42.112%0.12120%0.203CC..Hα-helixtrans-71.8-18.3174.8-55.40000112.9E174 R200 V201 I202 K206E174-V204 HydrophobicContact CB-CB 4.5Å; E174-V204 HydrophobicContact CB-CG2 4.35Å; R200-V204 PolarHBondContact O-N 3.36Å; R200-V204 VanDerWaalsContact O-N 3.1Å; V201-V204 WeakPolarHBondContact O-CG2 3.34Å; V201-V204 PolarHBondContact O-N 3.12Å; I202-V204 PolarHBondContact O-N 2.78Å; V204-K206 VanDerWaalsContact C-N 3.33Å
205L91.5Very high89.6Confident0 Ų040.4 Ų40.40%019%0.194CC..THydrogen-bonded Turntrans-85-3.5178.6-58.1174.1000113.6I62 I173 A177 I183 L185 V201 I202 E203 S207 N208 E209 I212I62-L205 HydrophobicContact CD1-CD1 3.61Å; I62-L205 HydrophobicContact CD1-CD2 4.18Å; I62-L205 HydrophobicContact CD1-CG 4.49Å; I173-L205 HydrophobicContact CG2-CD2 3.87Å; A177-L205 HydrophobicContact CB-CD2 3.3Å; I183-L205 HydrophobicContact CD1-CD2 4.21Å; I183-L205 HydrophobicContact CG2-CD1 4.14Å; L185-L205 HydrophobicContact CD2-CD1 3.89Å; V201-L205 HydrophobicContact CG1-CD1 4.43Å; V201-L205 VanDerWaalsContact O-CG 3.32Å; V201-L205 WeakPolarHBondContact O-CG 3.49Å; V201-L205 PolarHBondContact O-N 2.7Å; I202-L205 WeakPolarHBondContact O-CB 3.41Å; I202-L205 PolarHBondContact O-N 3.36Å; I202-L205 VanDerWaalsContact O-N 3.15Å; E203-L205 PolarHBondContact O-N 3.46Å; L205-S207 PolarHBondContact O-N 3.28Å; L205-N208 CarbonylContact O-C 3.27Å; L205-N208 WeakPolarHBondContact O-CA 3.49Å; L205-N208 PolarHBondContact O-N 3.1Å; L205-E209 PolarHBondContact O-N 3.42Å; L205-I212 HydrophobicContact CB-CD1 3.97Å
206K83.8Confident90.2Very high79 Ų7939.5 Ų39.534%0.34319%0.188SC..G310 helixtrans-57.4-32.9-175.6-76-177.8172.9-173.30113.9E203 V204 N208 I241E203-K206 WeakPolarHBondContact O-CG 3.44Å; E203-K206 PolarHBondContact O-N 2.79Å; V204-K206 VanDerWaalsContact C-N 3.33Å; K206-N208 PolarHBondContact O-N 2.95Å; K206-I241 WeakPolarHBondContact CE-O 3.38Å; K206-I241 PolarHBondContact NZ-O 3.46Å
207S81.6Confident90.7Very high77 Ų7734.5 Ų34.554%0.53816%0.161SC..G310 helixtrans-69.5-10.6175.352.20000114.1L205L205-S207 PolarHBondContact O-N 3.28Å
208N88.3Confident91.1Very high11 Ų1135.6 Ų35.66%0.05917%0.166CC..G310 helixtrans-124.724.9-176.4-64.3-77.9000111.7A177 I183 L205 K206 D210 K211A177-N208 PolarHBondContact O-OD1 3.23Å; I183-N208 HydrophobicContact CD1-CB 3.88Å; L205-N208 CarbonylContact O-C 3.27Å; L205-N208 WeakPolarHBondContact O-CA 3.49Å; L205-N208 PolarHBondContact O-N 3.1Å; K206-N208 PolarHBondContact O-N 2.95Å; N208-D210 VanDerWaalsContact C-N 3.26Å; N208-D210 PolarHBondContact O-N 3.09Å; N208-K211 HydrophobicContact CB-CD 4.16Å; N208-K211 HydrophobicContact CB-CG 4.47Å; N208-K211 WeakPolarHBondContact O-CB 3.25Å; N208-K211 PolarHBondContact O-N 2.75Å
209E87.5Confident91.4Very high97 Ų9735.6 Ų35.645%0.45317%0.166SC..G310 helixtrans-59.9-31.9-174.266-176.7-174.200113.9L205 K211 I212 T244L205-E209 PolarHBondContact O-N 3.42Å; E209-K211 PolarHBondContact O-N 2.88Å; E209-I212 WeakPolarHBondContact O-CB 3.36Å; E209-I212 PolarHBondContact O-N 2.91Å; E209-T244 WeakPolarHBondContact OE2-CG2 3.28Å
210D87.4Confident91.6Very high73 Ų7330.9 Ų30.939%0.3915%0.148SC..G310 helixtrans-61.4-25.4176.859.7-50.1000112.8N208 R213 R297N208-D210 VanDerWaalsContact C-N 3.26Å; N208-D210 PolarHBondContact O-N 3.09Å; D210-R213 PolarHBondContact O-NH1 3.06Å; D210-R213 VanDerWaalsContact O-NH1 3.17Å; D210-R297 IonicContact OD1-NH1 3.33Å; D210-R297 PolarHBondContact OD1-NH1 2.92Å; D210-R297 IonicContact OD2-CZ 3.09Å; D210-R297 IonicContact OD2-NH1 2.78Å; D210-R297 PolarHBondContact OD2-NH1 3.46Å; D210-R297 IonicContact OD2-NH2 3.48Å; D210-R297 PolarHBondContact OD2-NH2 3.44Å
211K90.8Very high91.8Very high3 Ų326.9 Ų26.91%0.01314%0.137CC..G310 helixtrans-86.9-14.1179.8-47.7-174.5177.4-173.40112.6E178 A180 R182 I183 N208 E209 D294E178-K211 PolarHBondContact O-NZ 3Å; A180-K211 WeakPolarHBondContact O-CD 3.43Å; A180-K211 WeakPolarHBondContact O-CE 3.41Å; A180-K211 PolarHBondContact O-NZ 3.49Å; R182-K211 WeakPolarHBondContact CA-O 3.44Å; I183-K211 HydrophobicContact CD1-CB 4.25Å; I183-K211 HydrophobicContact CG1-CB 4.29Å; I183-K211 PolarHBondContact N-O 3.1Å; N208-K211 HydrophobicContact CB-CD 4.16Å; N208-K211 HydrophobicContact CB-CG 4.47Å; N208-K211 WeakPolarHBondContact O-CB 3.25Å; N208-K211 PolarHBondContact O-N 2.75Å; E209-K211 PolarHBondContact O-N 2.88Å; K211-D294 IonicContact NZ-OD1 2.63Å; K211-D294 PolarHBondContact NZ-OD1 3.22Å; K211-D294 IonicContact NZ-OD2 2.98Å; K211-D294 PolarHBondContact NZ-OD2 3.34Å
212I93.6Very high91.8Very high16 Ų1627.1 Ų27.18%0.08214%0.138CC..EExtended strand (participates in β ladder)trans-76.8134-173.1-63.2177.7000111.1I183 L185 L205 E209 I214I183-I212 HydrophobicContact CB-CG1 4.26Å; I183-I212 CarbonylContact O-C 3.34Å; I183-I212 VanDerWaalsContact O-CA 3.32Å; I183-I212 WeakPolarHBondContact O-CA 3.34Å; L185-I212 HydrophobicContact CD1-CG2 3.74Å; L185-I212 HydrophobicContact CG-CG2 3.91Å; L205-I212 HydrophobicContact CB-CD1 3.97Å; E209-I212 WeakPolarHBondContact O-CB 3.36Å; E209-I212 PolarHBondContact O-N 2.91Å; I212-I214 HydrophobicContact CG2-CG1 4.15Å
213R94.6Very high91.9Very high55 Ų5529.5 Ų29.521%0.20815%0.151CC..EExtended strand (participates in β ladder)trans-127.8141.1166.1-64.2-57179.4-99.52.6108.8I183 I184 L185 D210 Y251 D279I183-R213 PolarHBondContact O-N 2.88Å; I184-R213 CarbonylContact C-O 3.59Å; I184-R213 WeakPolarHBondContact CA-O 3.35Å; L185-R213 PolarHBondContact N-O 2.84Å; D210-R213 PolarHBondContact O-NH1 3.06Å; D210-R213 VanDerWaalsContact O-NH1 3.17Å; R213-Y251 HydrophobicContact CB-CE2 4.03Å; R213-Y251 HydrophobicContact CG-CE2 4.19Å; R213-D279 IonicContact CZ-OD2 3.4Å; R213-D279 IonicContact NE-OD2 2.68Å; R213-D279 PolarHBondContact NE-OD2 2.58Å; R213-D279 IonicContact NH2-OD2 3.3Å
214I96.3Very high92Very high1 Ų128.7 Ų28.71%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-110.9132.8-176.2-56.4-178.6000108.4L185 F187 I212 L234 L238 L242 A248 R249 V250 Y251L185-I214 HydrophobicContact CB-CG1 4.44Å; L185-I214 WeakPolarHBondContact O-CA 3.46Å; F187-I214 HydrophobicContact CD2-CG2 3.7Å; F187-I214 HydrophobicContact CE2-CG2 3.72Å; I212-I214 HydrophobicContact CG2-CG1 4.15Å; I214-L234 HydrophobicContact CG2-CD2 4.38Å; I214-L238 HydrophobicContact CD1-CD1 3.35Å; I214-L238 HydrophobicContact CD1-CD2 3.8Å; I214-L238 HydrophobicContact CD1-CG 4.16Å; I214-L238 HydrophobicContact CG2-CD1 4.24Å; I214-L242 HydrophobicContact CD1-CD1 4.47Å; I214-A248 HydrophobicContact CD1-CB 3.64Å; I214-R249 PolarHBondContact N-O 3.41Å; I214-V250 HydrophobicContact CB-CG2 3.98Å; I214-V250 HydrophobicContact CG2-CB 4.48Å; I214-V250 HydrophobicContact CG2-CG1 4.22Å; I214-V250 HydrophobicContact CG2-CG2 3.88Å; I214-V250 CarbonylContact O-C 3.53Å; I214-V250 WeakPolarHBondContact O-CA 3.47Å; I214-Y251 WeakPolarHBondContact O-CD2 3.45Å; I214-Y251 PolarHBondContact O-N 3.28Å
215V97.7Very high92.2Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-122.9116.8178.91780000108.7F72 I184 L185 L186 F187 N217 Y251 F255 L276F72-V215 HydrophobicContact CE2-CG1 4.49Å; I184-V215 HydrophobicContact CG2-CB 4.19Å; I184-V215 HydrophobicContact CG2-CG2 3.56Å; L185-V215 PolarHBondContact O-N 3.4Å; L186-V215 WeakPolarHBondContact CA-O 3.47Å; L186-V215 HydrophobicContact CG-CB 4.35Å; F187-V215 PolarHBondContact N-O 2.95Å; V215-N217 HydrophobicContact CG1-CB 4.31Å; V215-N217 PolarHBondContact O-N 3.11Å; V215-Y251 CarbonylContact C-O 3.54Å; V215-Y251 WeakPolarHBondContact CA-O 3.36Å; V215-Y251 HydrophobicContact CG2-CD2 4.41Å; V215-F255 HydrophobicContact CG1-CD2 4.04Å; V215-F255 HydrophobicContact CG1-CE2 3.42Å; V215-F255 VanDerWaalsContact CG1-CE2 3.42Å; V215-F255 HydrophobicContact CG1-CZ 4.22Å; V215-L276 HydrophobicContact CG2-CD1 4.37Å; V215-L276 HydrophobicContact CG2-CD2 3.8Å
216L97.1Very high92.3Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-85.292.7167.1-175.361.2000107.9F187 A189 L192 L227 V230 L234 V250 Y251 I252 G253F187-L216 HydrophobicContact CB-CD1 4.14Å; A189-L216 HydrophobicContact CB-CD1 3.98Å; A189-L216 HydrophobicContact CB-CG 4.09Å; L192-L216 HydrophobicContact CD2-CD1 3.87Å; L216-L227 HydrophobicContact CD2-CD1 3.9Å; L216-V230 HydrophobicContact CD1-CG1 4Å; L216-V230 HydrophobicContact CD2-CG1 3.82Å; L216-V230 HydrophobicContact CG-CG1 4.48Å; L216-L234 HydrophobicContact CB-CD2 4.49Å; L216-L234 HydrophobicContact CD1-CD2 4.18Å; L216-V250 HydrophobicContact CB-CG1 3.93Å; L216-Y251 PolarHBondContact N-O 3Å; L216-I252 HydrophobicContact CB-CG1 4.5Å; L216-G253 PolarHBondContact O-N 3.09Å; L216-G253 VanDerWaalsContact O-N 3.13Å
217N96.7Very high92.8Very high1 Ų134.3 Ų34.31%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-85.4161.9-176-164.613.8000111.2T67 L186 F187 A189 V215 A219 G253 F255T67-N217 PolarHBondContact O-ND2 2.79Å; L186-N217 HydrophobicContact CD2-CB 4.31Å; F187-N217 PolarHBondContact O-N 2.96Å; A189-N217 WeakPolarHBondContact CB-O 3.41Å; A189-N217 PolarHBondContact N-O 3.26Å; V215-N217 HydrophobicContact CG1-CB 4.31Å; V215-N217 PolarHBondContact O-N 3.11Å; N217-A219 PolarHBondContact O-N 2.84Å; N217-G253 CarbonylContact C-O 3.58Å; N217-G253 VanDerWaalsContact CA-O 3.29Å; N217-G253 WeakPolarHBondContact CA-O 3.38Å; N217-F255 WeakPolarHBondContact OD1-CD2 3.45Å; N217-F255 PolarHBondContact OD1-N 3.1Å
218K95.4Very high93.4Very high35 Ų3537.1 Ų37.115%0.15219%0.185CC..  trans60.329.3-178-42-169.6-174.1168.20113.2S66 D188 D220 T221 G253 S254 W256S66-K218 WeakPolarHBondContact O-CE 3.32Å; S66-K218 PolarHBondContact O-NZ 2.81Å; D188-K218 WeakPolarHBondContact OD2-CD 3.47Å; D188-K218 WeakPolarHBondContact OD2-CE 3.39Å; D188-K218 IonicContact OD2-NZ 3.8Å; D188-K218 PolarHBondContact OD2-NZ 2.85Å; K218-D220 PolarHBondContact O-N 2.87Å; K218-T221 HydrophobicContact CB-CG2 4.08Å; K218-T221 WeakPolarHBondContact O-CB 3.17Å; K218-T221 WeakPolarHBondContact O-CG2 3.34Å; K218-T221 PolarHBondContact O-N 3.41Å; K218-T221 PolarHBondContact O-OG1 3.19Å; K218-G253 PolarHBondContact N-O 2.9Å; K218-S254 VanDerWaalsContact C-OG 3.31Å; K218-S254 WeakPolarHBondContact CA-OG 3.3Å; K218-W256 HydrophobicContact CB-CH2 3.59Å; K218-W256 HydrophobicContact CB-CZ2 4.32Å; K218-W256 HydrophobicContact CB-CZ3 4.03Å; K218-W256 HydrophobicContact CD-CH2 3.6Å; K218-W256 HydrophobicContact CD-CZ3 3.44Å; K218-W256 VanDerWaalsContact CD-CZ3 3.44Å; K218-W256 HydrophobicContact CG-CE3 4.3Å; K218-W256 HydrophobicContact CG-CH2 3.48Å; K218-W256 VanDerWaalsContact CG-CH2 3.48Å; K218-W256 HydrophobicContact CG-CZ2 4.5Å; K218-W256 HydrophobicContact CG-CZ3 3.37Å
219A95.7Very high93.6Very high0 Ų044.7 Ų44.70%021%0.212CC..G310 helixtrans-64-20.8-176.500000113.2A189 N217 T221 I222 L227 I252 G253 S254 F269A189-A219 HydrophobicContact CB-CB 4.49Å; N217-A219 PolarHBondContact O-N 2.84Å; A219-T221 PolarHBondContact O-N 3.41Å; A219-I222 WeakPolarHBondContact O-CG1 3.41Å; A219-I222 PolarHBondContact O-N 2.82Å; A219-L227 HydrophobicContact CB-CD1 4.34Å; A219-I252 HydrophobicContact CB-CG2 3.47Å; A219-I252 VanDerWaalsContact CB-CG2 3.47Å; A219-G253 PolarHBondContact N-O 3.3Å; A219-G253 VanDerWaalsContact N-O 3.12Å; A219-S254 PolarHBondContact N-OG 3.1Å; A219-S254 VanDerWaalsContact N-OG 3.1Å; A219-F269 HydrophobicContact CB-CD1 4.29Å; A219-F269 HydrophobicContact CB-CE1 3.53Å; A219-F269 HydrophobicContact CB-CZ 3.72Å
220D94.4Very high93.9Very high0 Ų041.1 Ų41.10%020%0.197CC..G310 helixtrans-66.4-14172.375.5-57.9000114K218 I222 S254 W256 L260 V261 F262 F269K218-D220 PolarHBondContact O-N 2.87Å; D220-I222 PolarHBondContact O-N 2.86Å; D220-S254 WeakPolarHBondContact CB-OG 3.3Å; D220-S254 VanDerWaalsContact CG-OG 3.24Å; D220-S254 PolarHBondContact N-OG 3.44Å; D220-S254 VanDerWaalsContact N-OG 3.09Å; D220-S254 VanDerWaalsContact OD1-CB 3.26Å; D220-S254 WeakPolarHBondContact OD1-CB 3.5Å; D220-S254 PolarHBondContact OD1-OG 3.02Å; D220-W256 WeakPolarHBondContact OD1-CZ2 3.34Å; D220-L260 HydrophobicContact CB-CB 4.02Å; D220-L260 HydrophobicContact CB-CD2 3.65Å; D220-L260 HydrophobicContact CB-CG 4.38Å; D220-L260 WeakPolarHBondContact OD2-CA 3.26Å; D220-V261 WeakPolarHBondContact O-CB 3.43Å; D220-V261 PolarHBondContact OD2-N 3.34Å; D220-F262 WeakPolarHBondContact O-CB 3.42Å; D220-F262 VanDerWaalsContact O-CD2 3.29Å; D220-F262 WeakPolarHBondContact O-CD2 3.39Å; D220-F262 PolarHBondContact O-N 3.05Å; D220-F269 HydrophobicContact CB-CE2 4.07Å
221T92.8Very high94.2Very high35 Ų3541 Ų4122%0.21519%0.192CC..G310 helixtrans-80.2-4.3179.964.80000113.8K218 A219 W256K218-T221 HydrophobicContact CB-CG2 4.08Å; K218-T221 WeakPolarHBondContact O-CB 3.17Å; K218-T221 WeakPolarHBondContact O-CG2 3.34Å; K218-T221 PolarHBondContact O-N 3.41Å; K218-T221 PolarHBondContact O-OG1 3.19Å; A219-T221 PolarHBondContact O-N 3.41Å; T221-W256 HydrophobicContact CG2-CH2 4.09Å; T221-W256 HydrophobicContact CG2-CZ2 4.24Å
222I93Very high94.2Very high4 Ų442.7 Ų42.72%0.02121%0.21CC..SBendtrans-132150.2-179.260.6175.8000110.8A189 A219 D220 Q226 L227 V230A189-I222 HydrophobicContact CB-CD1 3.84Å; A189-I222 HydrophobicContact CB-CG1 4.31Å; A219-I222 WeakPolarHBondContact O-CG1 3.41Å; A219-I222 PolarHBondContact O-N 2.82Å; D220-I222 PolarHBondContact O-N 2.86Å; I222-Q226 HydrophobicContact CB-CB 3.84Å; I222-Q226 HydrophobicContact CD1-CB 4.48Å; I222-Q226 HydrophobicContact CG2-CB 4.43Å; I222-L227 HydrophobicContact CD1-CB 4Å; I222-L227 HydrophobicContact CD1-CD1 3.99Å; I222-L227 HydrophobicContact CG1-CB 4.25Å; I222-V230 HydrophobicContact CD1-CB 3.96Å; I222-V230 HydrophobicContact CD1-CG1 4.04Å; I222-V230 HydrophobicContact CD1-CG2 3.8Å
223D92.6Very high94.2Very high51 Ų5144.2 Ų44.227%0.27323%0.225SC..  trans-75.4174.4176.568.945.5000112.4Q225 Q226 L227D223-Q225 VanDerWaalsContact C-N 3.32Å; D223-Q225 PolarHBondContact O-N 2.78Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.11Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.48Å; D223-Q225 PolarHBondContact OD1-N 3.45Å; D223-Q226 PolarHBondContact O-N 3.37Å; D223-Q226 WeakPolarHBondContact OD1-CG 3.43Å; D223-Q226 PolarHBondContact OD1-N 2.85Å; D223-L227 VanDerWaalsContact O-CB 3.29Å; D223-L227 WeakPolarHBondContact O-CB 3.47Å; D223-L227 PolarHBondContact O-N 3.05Å
224S92.5Very high94.1Very high44 Ų4441.6 Ų41.631%0.30822%0.215SC..Hα-helixtrans-60.3-35.4-179.8-51.50000113.8M228 N265S224-M228 WeakPolarHBondContact O-CG 3.27Å; S224-M228 PolarHBondContact O-N 3.41Å; S224-N265 WeakPolarHBondContact CA-ND2 3.47Å; S224-N265 VanDerWaalsContact OG-CG 3.31Å; S224-N265 PolarHBondContact OG-ND2 2.8Å; S224-N265 VanDerWaalsContact OG-ND2 3.17Å; S224-N265 PolarHBondContact OG-OD1 3.47Å
225Q93.1Very high93.8Very high128 Ų12843.2 Ų43.260%0.59822%0.223SC*.Hα-helixtrans-72.5-43.1-179.9-174.217953.600110.9D223 M228 R229D223-Q225 VanDerWaalsContact C-N 3.32Å; D223-Q225 PolarHBondContact O-N 2.78Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.11Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.48Å; D223-Q225 PolarHBondContact OD1-N 3.45Å; Q225-M228 PolarHBondContact O-N 3.33Å; Q225-R229 PolarHBondContact O-N 2.79Å
226Q93Very high93.4Very high84 Ų8451.6 Ų51.639%0.39326%0.255SS..Hα-helixtrans-63.5-43174.7-69.8177-13.300110.9I222 D223 M228 R229 V230I222-Q226 HydrophobicContact CB-CB 3.84Å; I222-Q226 HydrophobicContact CD1-CB 4.48Å; I222-Q226 HydrophobicContact CG2-CB 4.43Å; D223-Q226 PolarHBondContact O-N 3.37Å; D223-Q226 WeakPolarHBondContact OD1-CG 3.43Å; D223-Q226 PolarHBondContact OD1-N 2.85Å; Q226-M228 VanDerWaalsContact C-N 3.3Å; Q226-M228 PolarHBondContact O-N 3.37Å; Q226-R229 PolarHBondContact O-N 2.84Å; Q226-V230 WeakPolarHBondContact O-CB 2.94Å; Q226-V230 VanDerWaalsContact O-CG2 3.31Å; Q226-V230 WeakPolarHBondContact O-CG2 3.28Å; Q226-V230 PolarHBondContact O-N 3.4Å
227L94.7Very high93Very high6 Ų653.5 Ų53.53%0.03127%0.268CS..Hα-helixtrans-55.5-44.7176.8-179.961.1000111.9L216 A219 I222 D223 R229 V230 Y231 I252 L268 F269L216-L227 HydrophobicContact CD2-CD1 3.9Å; A219-L227 HydrophobicContact CB-CD1 4.34Å; I222-L227 HydrophobicContact CD1-CB 4Å; I222-L227 HydrophobicContact CD1-CD1 3.99Å; I222-L227 HydrophobicContact CG1-CB 4.25Å; D223-L227 VanDerWaalsContact O-CB 3.29Å; D223-L227 WeakPolarHBondContact O-CB 3.47Å; D223-L227 PolarHBondContact O-N 3.05Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 2.88Å; L227-V230 PolarHBondContact O-N 2.73Å; L227-Y231 VanDerWaalsContact O-CB 3.25Å; L227-Y231 WeakPolarHBondContact O-CB 3.44Å; L227-Y231 PolarHBondContact O-N 3.34Å; L227-I252 HydrophobicContact CD1-CG2 3.81Å; L227-I252 HydrophobicContact CD2-CG2 4.21Å; L227-L268 HydrophobicContact CD2-CD2 4.11Å; L227-F269 HydrophobicContact CD2-CE1 4.16Å
228M94.1Very high92.6Very high136 Ų13653.6 Ų53.667%0.6727%0.269SS*.Hα-helixtrans-62.8-38.6176.8-69.5-56.2-61.900112.8S224 Q225 Q226 G232S224-M228 WeakPolarHBondContact O-CG 3.27Å; S224-M228 PolarHBondContact O-N 3.41Å; Q225-M228 PolarHBondContact O-N 3.33Å; Q226-M228 VanDerWaalsContact C-N 3.3Å; Q226-M228 PolarHBondContact O-N 3.37Å; M228-G232 PolarHBondContact O-N 3.25Å
229R93.3Very high92.1Very high169 Ų16954 Ų5464%0.63828%0.282SS*.Hα-helixtrans-68.8-44.3176.8-67.6-178.3-177.2172.44.4111.8Q225 Q226 L227 G232 A233Q225-R229 PolarHBondContact O-N 2.79Å; Q226-R229 PolarHBondContact O-N 2.84Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 2.88Å; R229-G232 PolarHBondContact O-N 3.04Å; R229-A233 WeakPolarHBondContact O-CB 3.44Å; R229-A233 PolarHBondContact O-N 3.25Å
230V93.7Very high91.6Very high23 Ų2360.5 Ų60.514%0.13931%0.31CS..Hα-helixtrans-61.6-50.7178.21640000109.8A189 L192 L216 I222 Q226 L227 G232 A233 L234A189-V230 HydrophobicContact CB-CG1 4.41Å; A189-V230 WeakPolarHBondContact O-CG1 3.35Å; A189-V230 WeakPolarHBondContact O-CG2 3.29Å; L192-V230 HydrophobicContact CD1-CB 3.84Å; L192-V230 HydrophobicContact CD1-CG1 3.49Å; L192-V230 VanDerWaalsContact CD1-CG1 3.49Å; L192-V230 HydrophobicContact CD1-CG2 4.15Å; L192-V230 WeakPolarHBondContact CD1-O 3.36Å; L192-V230 HydrophobicContact CD2-CG1 3.85Å; L192-V230 HydrophobicContact CG-CG1 3.84Å; L216-V230 HydrophobicContact CD1-CG1 4Å; L216-V230 HydrophobicContact CD2-CG1 3.82Å; L216-V230 HydrophobicContact CG-CG1 4.48Å; I222-V230 HydrophobicContact CD1-CB 3.96Å; I222-V230 HydrophobicContact CD1-CG1 4.04Å; I222-V230 HydrophobicContact CD1-CG2 3.8Å; Q226-V230 WeakPolarHBondContact O-CB 2.94Å; Q226-V230 VanDerWaalsContact O-CG2 3.31Å; Q226-V230 WeakPolarHBondContact O-CG2 3.28Å; Q226-V230 PolarHBondContact O-N 3.4Å; L227-V230 PolarHBondContact O-N 2.73Å; V230-G232 PolarHBondContact O-N 2.82Å; V230-A233 PolarHBondContact O-N 3.08Å; V230-L234 WeakPolarHBondContact O-CB 3.48Å; V230-L234 PolarHBondContact O-N 3.44Å
231Y92.8Very high91.3Very high70 Ų7061 Ų6128%0.27531%0.313SS..Hα-helixtrans-56.3-49.8176.1-174.1-89.4000111.7L227 A233 L234 M235 V250 I252L227-Y231 VanDerWaalsContact O-CB 3.25Å; L227-Y231 WeakPolarHBondContact O-CB 3.44Å; L227-Y231 PolarHBondContact O-N 3.34Å; Y231-A233 PolarHBondContact O-N 3.38Å; Y231-L234 PolarHBondContact O-N 3.43Å; Y231-M235 HydrophobicContact CD1-CG 3.93Å; Y231-M235 HydrophobicContact CE1-CG 3.6Å; Y231-M235 HydrophobicContact CE1-SD 4.4Å; Y231-M235 VanDerWaalsContact O-CG 3.28Å; Y231-M235 WeakPolarHBondContact O-CG 3.4Å; Y231-M235 PolarHBondContact O-N 3.06Å; Y231-V250 HydrophobicContact CD2-CG1 4.4Å; Y231-V250 HydrophobicContact CE2-CB 3.83Å; Y231-V250 HydrophobicContact CE2-CG1 4.07Å; Y231-V250 HydrophobicContact CE2-CG2 4.43Å; Y231-I252 HydrophobicContact CD2-CD1 3.7Å; Y231-I252 HydrophobicContact CD2-CG1 4.32Å; Y231-I252 HydrophobicContact CE2-CD1 3.95Å; Y231-I252 HydrophobicContact CE2-CG1 4.46Å
232G92Very high90.9Very high39 Ų3960.2 Ų60.240%0.40231%0.307SS..Hα-helixtrans-58.7-43177.800000113.6M228 R229 V230 M235 W236M228-G232 PolarHBondContact O-N 3.25Å; R229-G232 PolarHBondContact O-N 3.04Å; V230-G232 PolarHBondContact O-N 2.82Å; G232-M235 PolarHBondContact O-N 3.33Å; G232-W236 WeakPolarHBondContact O-CB 3.42Å; G232-W236 PolarHBondContact O-N 2.9Å
233A92.1Very high90.2Very high47 Ų4766.4 Ų66.439%0.38834%0.34SS..Hα-helixtrans-66.7-39.217800000112.7L192 R229 V230 Y231 S237L192-A233 HydrophobicContact CD1-CB 4.01Å; R229-A233 WeakPolarHBondContact O-CB 3.44Å; R229-A233 PolarHBondContact O-N 3.25Å; V230-A233 PolarHBondContact O-N 3.08Å; Y231-A233 PolarHBondContact O-N 3.38Å; A233-S237 WeakPolarHBondContact O-CB 3.15Å; A233-S237 PolarHBondContact O-N 3.31Å; A233-S237 PolarHBondContact O-OG 2.63Å
234L92.7Very high89.6Confident1 Ų165.7 Ų65.71%0.00534%0.338CS..Hα-helixtrans-63.4-49.1175.3177.460.5000110.6F187 L192 I214 L216 V230 Y231 W236 S237 L238 V250F187-L234 HydrophobicContact CB-CD2 4.43Å; F187-L234 HydrophobicContact CD1-CD1 3.51Å; F187-L234 HydrophobicContact CD2-CD1 4.12Å; F187-L234 HydrophobicContact CD2-CD2 4.45Å; F187-L234 HydrophobicContact CE1-CD1 3.59Å; F187-L234 HydrophobicContact CE2-CD1 4.21Å; F187-L234 HydrophobicContact CG-CD1 3.79Å; F187-L234 HydrophobicContact CG-CD2 4.33Å; F187-L234 HydrophobicContact CZ-CD1 3.96Å; L192-L234 HydrophobicContact CD1-CB 4.39Å; L192-L234 HydrophobicContact CD2-CB 4.16Å; L192-L234 HydrophobicContact CD2-CD1 4.43Å; I214-L234 HydrophobicContact CG2-CD2 4.38Å; L216-L234 HydrophobicContact CB-CD2 4.49Å; L216-L234 HydrophobicContact CD1-CD2 4.18Å; V230-L234 WeakPolarHBondContact O-CB 3.48Å; V230-L234 PolarHBondContact O-N 3.44Å; Y231-L234 PolarHBondContact O-N 3.43Å; L234-W236 VanDerWaalsContact C-N 3.33Å; L234-W236 PolarHBondContact O-N 2.83Å; L234-S237 PolarHBondContact O-N 3.04Å; L234-S237 VanDerWaalsContact O-N 3.12Å; L234-L238 HydrophobicContact CD1-CD1 3.78Å; L234-L238 HydrophobicContact CD1-CD2 4.48Å; L234-L238 HydrophobicContact CD1-CG 3.9Å; L234-L238 HydrophobicContact CD2-CD1 4.36Å; L234-L238 HydrophobicContact CG-CD1 3.67Å; L234-L238 HydrophobicContact CG-CG 4.25Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.98Å; L234-V250 HydrophobicContact CD2-CG1 4.2Å
235M90.7Very high88.9Confident35 Ų3569.2 Ų69.217%0.17236%0.36CS..Hα-helixtrans-60.5-42.3179.6-68-48.7-62.100112.4Y231 G232 S237 L238 G239 V247 V250Y231-M235 HydrophobicContact CD1-CG 3.93Å; Y231-M235 HydrophobicContact CE1-CG 3.6Å; Y231-M235 HydrophobicContact CE1-SD 4.4Å; Y231-M235 VanDerWaalsContact O-CG 3.28Å; Y231-M235 WeakPolarHBondContact O-CG 3.4Å; Y231-M235 PolarHBondContact O-N 3.06Å; G232-M235 PolarHBondContact O-N 3.33Å; M235-S237 VanDerWaalsContact C-N 3.34Å; M235-S237 PolarHBondContact O-N 3.17Å; M235-L238 PolarHBondContact O-N 3.4Å; M235-L238 HydrophobicContact SD-CD1 4.33Å; M235-G239 PolarHBondContact O-N 3.22Å; M235-V247 HydrophobicContact CE-CB 4.45Å; M235-V247 HydrophobicContact CE-CG1 3.13Å; M235-V250 HydrophobicContact SD-CG2 3.44Å; M235-V250 WeakPolarHBondContact SD-CG2 3.4Å
236W88.8Confident88.4Confident176 Ų17669.4 Ų69.467%0.66736%0.361SS*.Hα-helixtrans-59.7-43.8174176.8-99.9000112.4G232 L234 K240G232-W236 WeakPolarHBondContact O-CB 3.42Å; G232-W236 PolarHBondContact O-N 2.9Å; L234-W236 VanDerWaalsContact C-N 3.33Å; L234-W236 PolarHBondContact O-N 2.83Å; W236-K240 VanDerWaalsContact NE1-CE 3.3Å; W236-K240 PolarHBondContact O-N 3.3Å
237S88.4Confident87.9Confident40 Ų4070.8 Ų70.828%0.2838%0.375SS..Hα-helixtrans-69.7-42.7-179.3-57.70000111.9A233 L234 M235 K240 I241A233-S237 WeakPolarHBondContact O-CB 3.15Å; A233-S237 PolarHBondContact O-N 3.31Å; A233-S237 PolarHBondContact O-OG 2.63Å; L234-S237 PolarHBondContact O-N 3.04Å; L234-S237 VanDerWaalsContact O-N 3.12Å; M235-S237 VanDerWaalsContact C-N 3.34Å; M235-S237 PolarHBondContact O-N 3.17Å; S237-K240 PolarHBondContact O-N 3.26Å; S237-I241 WeakPolarHBondContact O-CG1 3.47Å; S237-I241 PolarHBondContact O-N 3.37Å
238L88.8Confident87.4Confident3 Ų371.8 Ų71.82%0.01638%0.384CS..Hα-helixtrans-63.8-42.5176.6-71.7168.5000112.1F187 I214 L234 M235 K240 I241 L242 V250F187-L238 HydrophobicContact CE2-CD2 4.33Å; F187-L238 HydrophobicContact CZ-CD2 3.91Å; I214-L238 HydrophobicContact CD1-CD1 3.35Å; I214-L238 HydrophobicContact CD1-CD2 3.8Å; I214-L238 HydrophobicContact CD1-CG 4.16Å; I214-L238 HydrophobicContact CG2-CD1 4.24Å; L234-L238 HydrophobicContact CD1-CD1 3.78Å; L234-L238 HydrophobicContact CD1-CD2 4.48Å; L234-L238 HydrophobicContact CD1-CG 3.9Å; L234-L238 HydrophobicContact CD2-CD1 4.36Å; L234-L238 HydrophobicContact CG-CD1 3.67Å; L234-L238 HydrophobicContact CG-CG 4.25Å; L234-L238 WeakPolarHBondContact O-CB 3.48Å; L234-L238 VanDerWaalsContact O-CG 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.98Å; M235-L238 PolarHBondContact O-N 3.4Å; M235-L238 HydrophobicContact SD-CD1 4.33Å; L238-K240 PolarHBondContact O-N 2.91Å; L238-I241 PolarHBondContact O-N 3.34Å; L238-L242 HydrophobicContact CB-CD1 4.36Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 PolarHBondContact O-N 2.95Å; L238-V250 HydrophobicContact CD1-CG2 4.4Å
239G85.3Confident87.1Confident42 Ų4270 Ų7043%0.43337%0.37SS..Hα-helixtrans-56.3-37.2176.900000112.6M235 N243M235-G239 PolarHBondContact O-N 3.22Å; G239-N243 PolarHBondContact O-N 3.3Å
240K85.7Confident87.2Confident137 Ų13762 Ų6260%0.59634%0.34SS*.Hα-helixtrans-70-32.7175.4-69.1-178.6177.3-174.60113.9W236 S237 L238W236-K240 VanDerWaalsContact NE1-CE 3.3Å; W236-K240 PolarHBondContact O-N 3.3Å; S237-K240 PolarHBondContact O-N 3.26Å; L238-K240 PolarHBondContact O-N 2.91Å
241I87.1Confident87.4Confident11 Ų1161.6 Ų61.66%0.05634%0.336CS..Hα-helixtrans-88.7-49.7-173.2-62.2170.8000110.9I194 R199 I202 K206 S237 L238 N243I194-I241 HydrophobicContact CB-CD1 4.37Å; I194-I241 HydrophobicContact CD1-CD1 3.62Å; I194-I241 HydrophobicContact CG2-CD1 3.82Å; R199-I241 HydrophobicContact CG-CD1 4.18Å; R199-I241 HydrophobicContact CG-CG1 4.19Å; R199-I241 HydrophobicContact CG-CG2 4.33Å; I202-I241 HydrophobicContact CB-CG2 3.9Å; I202-I241 HydrophobicContact CG2-CG2 3.51Å; K206-I241 WeakPolarHBondContact CE-O 3.38Å; K206-I241 PolarHBondContact NZ-O 3.46Å; S237-I241 WeakPolarHBondContact O-CG1 3.47Å; S237-I241 PolarHBondContact O-N 3.37Å; L238-I241 PolarHBondContact O-N 3.34Å; I241-N243 VanDerWaalsContact C-N 3.33Å
242L83.7Confident87.5Confident18 Ų1858.9 Ų58.99%0.09433%0.326CS..Hα-helixtrans-67.4-36.8-179-63.9177.5000110.9I202 I214 L238 T244 A248I202-L242 HydrophobicContact CG2-CD2 3.73Å; I214-L242 HydrophobicContact CD1-CD1 4.47Å; L238-L242 HydrophobicContact CB-CD1 4.36Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 PolarHBondContact O-N 2.95Å; L242-T244 HydrophobicContact CB-CG2 4.48Å; L242-T244 PolarHBondContact O-N 3.24Å; L242-A248 HydrophobicContact CD1-CB 3.98Å
243N80.1Confident87.7Confident134 Ų13457 Ų5772%0.71731%0.307SS*.  trans56.534.8179.7-168.361.4000112.7G239 I241G239-N243 PolarHBondContact O-N 3.3Å; I241-N243 VanDerWaalsContact C-N 3.33Å
244T78.7Confident87.8Confident36 Ų3655.6 Ų55.622%0.22129%0.294CS..  trans-103143.7172.9560000109.5E209 L242 E246E209-T244 WeakPolarHBondContact OE2-CG2 3.28Å; L242-T244 HydrophobicContact CB-CG2 4.48Å; L242-T244 PolarHBondContact O-N 3.24Å; T244-E246 PolarHBondContact OG1-O 3.33Å; T244-E246 VanDerWaalsContact OG1-O 3.09Å
245P78.5Confident87.9Confident119 Ų11955.6 Ų55.677%0.77329%0.294SS*.SBendtrans-69.1-26.9172.427.1-31.1000111.9
246E82Confident87.7Confident131 Ų13156 Ų5661%0.61229%0.294SS*.SBendtrans-75.8137.8177.4-58.578.5-169.100111.8T244 A248T244-E246 PolarHBondContact OG1-O 3.33Å; T244-E246 VanDerWaalsContact OG1-O 3.09Å; E246-A248 PolarHBondContact O-N 2.89Å
247V82.1Confident87.3Confident114 Ų11452.7 Ų52.769%0.69129%0.289SS*.PPolyproline II helixtrans-77.5118.6175.9-175.90000109M235M235-V247 HydrophobicContact CE-CB 4.45Å; M235-V247 HydrophobicContact CE-CG1 3.13Å
248A84.5Confident87.1Confident27 Ų2759.8 Ų59.822%0.22331%0.31CS..PPolyproline II helixtrans-63.5135.6176.400000111.4I214 L242 E246 V250I214-A248 HydrophobicContact CD1-CB 3.64Å; L242-A248 HydrophobicContact CD1-CB 3.98Å; E246-A248 PolarHBondContact O-N 2.89Å; A248-V250 PolarHBondContact O-N 3.37Å
249R88.2Confident86.8Confident98 Ų9868.4 Ų68.437%0.3735%0.35SS..PPolyproline II helixtrans-68.6120.9174.2-18059.5168.8133.2-11109.8I214 Y251 E272 D275I214-R249 PolarHBondContact N-O 3.41Å; R249-Y251 HydrophobicContact CG-CE1 4.22Å; R249-Y251 HydrophobicContact CG-CE2 4.03Å; R249-E272 IonicContact CZ-OE1 3.11Å; R249-E272 VanDerWaalsContact CZ-OE1 3.29Å; R249-E272 IonicContact CZ-OE2 3.53Å; R249-E272 VanDerWaalsContact NH1-CD 3.28Å; R249-E272 IonicContact NH1-OE1 2.68Å; R249-E272 PolarHBondContact NH1-OE1 3.06Å; R249-E272 IonicContact NH1-OE2 3.99Å; R249-E272 PolarHBondContact NH1-OE2 2.59Å; R249-E272 IonicContact NH2-OE1 3.16Å; R249-E272 PolarHBondContact NH2-OE1 3.04Å; R249-E272 IonicContact NH2-OE2 2.75Å; R249-E272 PolarHBondContact NH2-OE2 2.88Å; R249-D275 IonicContact NH2-OD2 3.57Å
250V95Very high86.9Confident0 Ų068.5 Ų68.50%034%0.34CS..EExtended strand (participates in β ladder)trans-106.3123.2172.5-179.80000108.8I214 L216 Y231 L234 M235 L238 A248 I252I214-V250 HydrophobicContact CB-CG2 3.98Å; I214-V250 HydrophobicContact CG2-CB 4.48Å; I214-V250 HydrophobicContact CG2-CG1 4.22Å; I214-V250 HydrophobicContact CG2-CG2 3.88Å; I214-V250 CarbonylContact O-C 3.53Å; I214-V250 WeakPolarHBondContact O-CA 3.47Å; L216-V250 HydrophobicContact CB-CG1 3.93Å; Y231-V250 HydrophobicContact CD2-CG1 4.4Å; Y231-V250 HydrophobicContact CE2-CB 3.83Å; Y231-V250 HydrophobicContact CE2-CG1 4.07Å; Y231-V250 HydrophobicContact CE2-CG2 4.43Å; L234-V250 HydrophobicContact CD2-CG1 4.2Å; M235-V250 HydrophobicContact SD-CG2 3.44Å; M235-V250 WeakPolarHBondContact SD-CG2 3.4Å; L238-V250 HydrophobicContact CD1-CG2 4.4Å; A248-V250 PolarHBondContact O-N 3.37Å; V250-I252 HydrophobicContact CG1-CG1 4.48Å
251Y97.4Very high87.1Confident16 Ų1666.8 Ų66.86%0.06334%0.341CS..EExtended strand (participates in β ladder)trans-90.4137.4169.8-56.9-85.9000109.8R213 I214 V215 L216 R249 E272 D275 L276R213-Y251 HydrophobicContact CB-CE2 4.03Å; R213-Y251 HydrophobicContact CG-CE2 4.19Å; I214-Y251 WeakPolarHBondContact O-CD2 3.45Å; I214-Y251 PolarHBondContact O-N 3.28Å; V215-Y251 CarbonylContact C-O 3.54Å; V215-Y251 WeakPolarHBondContact CA-O 3.36Å; V215-Y251 HydrophobicContact CG2-CD2 4.41Å; L216-Y251 PolarHBondContact N-O 3Å; R249-Y251 HydrophobicContact CG-CE1 4.22Å; R249-Y251 HydrophobicContact CG-CE2 4.03Å; Y251-E272 WeakPolarHBondContact CA-OE2 3.33Å; Y251-E272 WeakPolarHBondContact CD1-O 3.34Å; Y251-D275 HydrophobicContact CD1-CB 4.28Å; Y251-D275 HydrophobicContact CE1-CB 3.78Å; Y251-L276 HydrophobicContact CD1-CB 3.71Å; Y251-L276 HydrophobicContact CD2-CB 4.36Å; Y251-L276 HydrophobicContact CD2-CD1 3.81Å; Y251-L276 HydrophobicContact CE1-CB 3.99Å; Y251-L276 HydrophobicContact CE2-CD1 3.87Å; Y251-L276 HydrophobicContact CG-CB 3.9Å; Y251-L276 HydrophobicContact CG-CD1 4.2Å; Y251-L276 HydrophobicContact CG-CD2 4.47Å; Y251-L276 HydrophobicContact CG-CG 4.42Å
252I96.6Very high87.1Confident12 Ų1270.1 Ų70.16%0.06236%0.355CS..EExtended strand (participates in β ladder)trans-116.4126.5-175.2-54174.6000109.1L216 A219 L227 Y231 V250 F269 E272L216-I252 HydrophobicContact CB-CG1 4.5Å; A219-I252 HydrophobicContact CB-CG2 3.47Å; A219-I252 VanDerWaalsContact CB-CG2 3.47Å; L227-I252 HydrophobicContact CD1-CG2 3.81Å; L227-I252 HydrophobicContact CD2-CG2 4.21Å; Y231-I252 HydrophobicContact CD2-CD1 3.7Å; Y231-I252 HydrophobicContact CD2-CG1 4.32Å; Y231-I252 HydrophobicContact CE2-CD1 3.95Å; Y231-I252 HydrophobicContact CE2-CG1 4.46Å; V250-I252 HydrophobicContact CG1-CG1 4.48Å; I252-F269 HydrophobicContact CG2-CD1 3.98Å; I252-F269 HydrophobicContact CG2-CE1 3.74Å; I252-E272 HydrophobicContact CB-CG 4.3Å; I252-E272 WeakPolarHBondContact O-CB 3.29Å
253G95.2Very high87.2Confident1 Ų173.2 Ų73.21%0.0137%0.372CS..  trans177.7-169.717500000113.7L216 N217 K218 A219L216-G253 PolarHBondContact O-N 3.09Å; L216-G253 VanDerWaalsContact O-N 3.13Å; N217-G253 CarbonylContact C-O 3.58Å; N217-G253 VanDerWaalsContact CA-O 3.29Å; N217-G253 WeakPolarHBondContact CA-O 3.38Å; K218-G253 PolarHBondContact N-O 2.9Å; A219-G253 PolarHBondContact N-O 3.3Å; A219-G253 VanDerWaalsContact N-O 3.12Å
254S94.8Very high87.6Confident16 Ų1671.9 Ų71.911%0.11237%0.369CS..  trans-134115.2175.4-62.60000108.7K218 A219 D220 W256K218-S254 VanDerWaalsContact C-OG 3.31Å; K218-S254 WeakPolarHBondContact CA-OG 3.3Å; A219-S254 PolarHBondContact N-OG 3.1Å; A219-S254 VanDerWaalsContact N-OG 3.1Å; D220-S254 WeakPolarHBondContact CB-OG 3.3Å; D220-S254 VanDerWaalsContact CG-OG 3.24Å; D220-S254 PolarHBondContact N-OG 3.44Å; D220-S254 VanDerWaalsContact N-OG 3.09Å; D220-S254 VanDerWaalsContact OD1-CB 3.26Å; D220-S254 WeakPolarHBondContact OD1-CB 3.5Å; D220-S254 PolarHBondContact OD1-OG 3.02Å; S254-W256 PolarHBondContact O-N 3.43Å
255F94.2Very high88.2Confident2 Ų271.3 Ų71.31%0.00936%0.364CS..  trans-106.867.6-170.7-57.2-88.2000109.8F72 Y75 V215 N217 K273 L276 F277F72-F255 HydrophobicContact CB-CB 4.5Å; F72-F255 HydrophobicContact CD2-CB 3.47Å; F72-F255 VanDerWaalsContact CD2-CB 3.47Å; F72-F255 AromaticContact CD2-CD1 3.93Å; F72-F255 HydrophobicContact CD2-CD1 3.93Å; F72-F255 AromaticContact CD2-CD2 3.59Å; F72-F255 HydrophobicContact CD2-CD2 3.59Å; F72-F255 HydrophobicContact CD2-CE2 4.33Å; F72-F255 AromaticContact CD2-CG 3.37Å; F72-F255 HydrophobicContact CD2-CG 3.37Å; F72-F255 HydrophobicContact CE2-CB 4.07Å; F72-F255 AromaticContact CE2-CD1 3.58Å; F72-F255 HydrophobicContact CE2-CD1 3.58Å; F72-F255 AromaticContact CE2-CD2 3.64Å; F72-F255 HydrophobicContact CE2-CD2 3.64Å; F72-F255 AromaticContact CE2-CE1 3.86Å; F72-F255 HydrophobicContact CE2-CE1 3.86Å; F72-F255 AromaticContact CE2-CE2 3.95Å; F72-F255 HydrophobicContact CE2-CE2 3.95Å; F72-F255 AromaticContact CE2-CG 3.47Å; F72-F255 HydrophobicContact CE2-CG 3.47Å; F72-F255 VanDerWaalsContact CE2-CG 3.47Å; F72-F255 HydrophobicContact CE2-CZ 4.05Å; F72-F255 HydrophobicContact CG-CB 4.33Å; Y75-F255 HydrophobicContact CD1-CB 3.83Å; Y75-F255 AromaticContact CD1-CD1 3.91Å; Y75-F255 HydrophobicContact CD1-CD1 3.91Å; Y75-F255 HydrophobicContact CD1-CG 4.38Å; Y75-F255 HydrophobicContact CE1-CB 4.33Å; Y75-F255 AromaticContact CE1-CD1 3.81Å; Y75-F255 HydrophobicContact CE1-CD1 3.81Å; Y75-F255 HydrophobicContact CG-CB 4.14Å; V215-F255 HydrophobicContact CG1-CD2 4.04Å; V215-F255 HydrophobicContact CG1-CE2 3.42Å; V215-F255 VanDerWaalsContact CG1-CE2 3.42Å; V215-F255 HydrophobicContact CG1-CZ 4.22Å; N217-F255 WeakPolarHBondContact OD1-CD2 3.45Å; N217-F255 PolarHBondContact OD1-N 3.1Å; F255-K273 HydrophobicContact CE1-CB 4.27Å; F255-K273 HydrophobicContact CE1-CG 4.09Å; F255-L276 HydrophobicContact CE1-CD2 3.89Å; F255-L276 HydrophobicContact CE2-CD2 4.44Å; F255-L276 HydrophobicContact CZ-CD2 3.65Å; F255-F277 HydrophobicContact CD1-CE1 4.25Å; F255-F277 HydrophobicContact CE1-CE1 4.07Å
256W86.8Confident88.6Confident44 Ų4471.3 Ų71.317%0.16735%0.349CS..SBendtrans-149.8164.1176.654.939.8000111.1T71 K218 D220 T221 S254 R258T71-W256 HydrophobicContact CG2-CB 3.77Å; K218-W256 HydrophobicContact CB-CH2 3.59Å; K218-W256 HydrophobicContact CB-CZ2 4.32Å; K218-W256 HydrophobicContact CB-CZ3 4.03Å; K218-W256 HydrophobicContact CD-CH2 3.6Å; K218-W256 HydrophobicContact CD-CZ3 3.44Å; K218-W256 VanDerWaalsContact CD-CZ3 3.44Å; K218-W256 HydrophobicContact CG-CE3 4.3Å; K218-W256 HydrophobicContact CG-CH2 3.48Å; K218-W256 VanDerWaalsContact CG-CH2 3.48Å; K218-W256 HydrophobicContact CG-CZ2 4.5Å; K218-W256 HydrophobicContact CG-CZ3 3.37Å; D220-W256 WeakPolarHBondContact OD1-CZ2 3.34Å; T221-W256 HydrophobicContact CG2-CH2 4.09Å; T221-W256 HydrophobicContact CG2-CZ2 4.24Å; S254-W256 PolarHBondContact O-N 3.43Å; W256-R258 HydrophobicContact CG-CB 4.38Å; W256-R258 PolarHBondContact O-N 3.38Å
257D80.1Confident88.8Confident106 Ų10670 Ų7057%0.56734%0.341SS*.SBendtrans-90.429.4-175.6-48.5-42.1000113.2R74 Y75R74-D257 IonicContact NE-OD2 3.48Å; R74-D257 IonicContact NH2-OD2 3.53Å; Y75-D257 WeakPolarHBondContact CD2-OD1 3.39Å
258R83.3Confident89.3Confident189 Ų18967.6 Ų67.671%0.71332%0.324SS*.SBendtrans-106.8154.3-177.7-60.2-177.9-177.2-175.40.5111.1W256 L260W256-R258 HydrophobicContact CG-CB 4.38Å; W256-R258 PolarHBondContact O-N 3.38Å; R258-L260 PolarHBondContact O-N 3.37Å
259Q83.9Confident89.6Confident183 Ų18367 Ų6786%0.85532%0.316SS*.  trans-57.2134.6170.4-175.91773.900110.2V261Q259-V261 PolarHBondContact O-N 2.94Å
260L87.8Confident89.6Confident44 Ų4465.6 Ų65.623%0.2331%0.314CS..  trans-62.5131.9175.5-58.5178.6000109.9D220 R258 D263 R266 F269D220-L260 HydrophobicContact CB-CB 4.02Å; D220-L260 HydrophobicContact CB-CD2 3.65Å; D220-L260 HydrophobicContact CB-CG 4.38Å; D220-L260 WeakPolarHBondContact OD2-CA 3.26Å; R258-L260 PolarHBondContact O-N 3.37Å; L260-D263 HydrophobicContact CB-CB 4.2Å; L260-D263 HydrophobicContact CD1-CB 4.15Å; L260-R266 HydrophobicContact CD1-CB 4.39Å; L260-R266 HydrophobicContact CD1-CG 4.28Å; L260-F269 HydrophobicContact CD1-CD2 4.42Å
261V88.7Confident89.2Confident101 Ų10169.1 Ų69.161%0.61233%0.333SS*.SBendtrans-69.4-49.6176.6178.80000110.5D220 Q259D220-V261 WeakPolarHBondContact O-CB 3.43Å; D220-V261 PolarHBondContact OD2-N 3.34Å; Q259-V261 PolarHBondContact O-N 2.94Å
262F87.4Confident89.1Confident81 Ų8169.3 Ų69.336%0.35533%0.334SS..  trans-115.1120.3167.9-63-76.7000109.7D220D220-F262 WeakPolarHBondContact O-CB 3.42Å; D220-F262 VanDerWaalsContact O-CD2 3.29Å; D220-F262 WeakPolarHBondContact O-CD2 3.39Å; D220-F262 PolarHBondContact O-N 3.05Å
263D86Confident88.8Confident83 Ų8371.6 Ų71.644%0.44434%0.343SS..  trans-105.95.4-179.274.8-19.8000113.9L260 N265 R266L260-D263 HydrophobicContact CB-CB 4.2Å; L260-D263 HydrophobicContact CD1-CB 4.15Å; D263-N265 PolarHBondContact O-N 2.88Å; D263-N265 VanDerWaalsContact O-N 3.12Å; D263-R266 WeakPolarHBondContact O-CB 3.29Å; D263-R266 PolarHBondContact O-N 2.69Å; D263-R266 IonicContact OD2-CZ 3.24Å; D263-R266 IonicContact OD2-NE 3.93Å; D263-R266 IonicContact OD2-NH2 2.71Å; D263-R266 PolarHBondContact OD2-NH2 2.92Å
264T89.5Confident88.4Confident107 Ų10774.7 Ų74.766%0.65636%0.359SS*.THydrogen-bonded Turntrans-54.3-33.3176-45.40000112.5
265N89.7Confident88.3Confident23 Ų2376.6 Ų76.612%0.12337%0.368CS..THydrogen-bonded Turntrans-99.417179.7-59-49.3000113.2S224 D263 K267 L268 F269S224-N265 WeakPolarHBondContact CA-ND2 3.47Å; S224-N265 VanDerWaalsContact OG-CG 3.31Å; S224-N265 PolarHBondContact OG-ND2 2.8Å; S224-N265 VanDerWaalsContact OG-ND2 3.17Å; S224-N265 PolarHBondContact OG-OD1 3.47Å; D263-N265 PolarHBondContact O-N 2.88Å; D263-N265 VanDerWaalsContact O-N 3.12Å; N265-K267 PolarHBondContact O-N 2.68Å; N265-L268 HydrophobicContact CB-CB 4.5Å; N265-L268 WeakPolarHBondContact O-CB 3.42Å; N265-L268 PolarHBondContact O-N 3.29Å; N265-F269 HydrophobicContact CB-CD1 4.33Å; N265-F269 HydrophobicContact CB-CE1 3.75Å; N265-F269 HydrophobicContact CB-CE2 4.03Å; N265-F269 HydrophobicContact CB-CZ 3.59Å; N265-F269 WeakPolarHBondContact O-CG 3.29Å; N265-F269 PolarHBondContact O-N 3.3Å
266R88.1Confident88.2Confident120 Ų12076.5 Ų76.545%0.45337%0.367SS..Hα-helixtrans-51.3-49.5-174.9-178.9-173.4-60.8-133.84.6113.2L260 D263 L268 F269 E270L260-R266 HydrophobicContact CD1-CB 4.39Å; L260-R266 HydrophobicContact CD1-CG 4.28Å; D263-R266 WeakPolarHBondContact O-CB 3.29Å; D263-R266 PolarHBondContact O-N 2.69Å; D263-R266 IonicContact OD2-CZ 3.24Å; D263-R266 IonicContact OD2-NE 3.93Å; D263-R266 IonicContact OD2-NH2 2.71Å; D263-R266 PolarHBondContact OD2-NH2 2.92Å; R266-L268 VanDerWaalsContact C-N 3.29Å; R266-L268 PolarHBondContact O-N 3.32Å; R266-F269 PolarHBondContact O-N 3.21Å; R266-F269 VanDerWaalsContact O-N 3.13Å; R266-E270 WeakPolarHBondContact CG-OE1 3.19Å; R266-E270 WeakPolarHBondContact O-CG 3.4Å; R266-E270 PolarHBondContact O-N 2.82Å
267K86.4Confident88.5Confident102 Ų10275.3 Ų75.344%0.44336%0.363SS..Hα-helixtrans-60.6-38-179.5-171.7163.9-169.8146.10112.3N265 L271 E428N265-K267 PolarHBondContact O-N 2.68Å; K267-L271 HydrophobicContact CG-CD1 4.39Å; K267-L271 WeakPolarHBondContact O-CG 3.22Å; K267-L271 PolarHBondContact O-N 2.95Å; K267-L271 VanDerWaalsContact O-N 3.12Å; K267-E428 IonicContact NZ-OE1 2.71Å; K267-E428 PolarHBondContact NZ-OE1 2.96Å; K267-E428 VanDerWaalsContact NZ-OE1 3.11Å; K267-E428 IonicContact NZ-OE2 2.79Å; K267-E428 PolarHBondContact NZ-OE2 3.25Å
268L91.1Very high88.8Confident65 Ų6577.5 Ų77.534%0.3436%0.364SS..Hα-helixtrans-63.4-49174173.566.1000110.8L227 N265 R266 E270 L271 E272L227-L268 HydrophobicContact CD2-CD2 4.11Å; N265-L268 HydrophobicContact CB-CB 4.5Å; N265-L268 WeakPolarHBondContact O-CB 3.42Å; N265-L268 PolarHBondContact O-N 3.29Å; R266-L268 VanDerWaalsContact C-N 3.29Å; R266-L268 PolarHBondContact O-N 3.32Å; L268-E270 VanDerWaalsContact C-N 3.27Å; L268-E270 PolarHBondContact O-N 2.83Å; L268-L271 PolarHBondContact O-N 2.76Å; L268-E272 HydrophobicContact CD1-CG 3.96Å; L268-E272 HydrophobicContact CG-CG 4.36Å; L268-E272 WeakPolarHBondContact O-CB 3.44Å; L268-E272 VanDerWaalsContact O-CG 3.27Å; L268-E272 WeakPolarHBondContact O-CG 3.47Å; L268-E272 PolarHBondContact O-N 2.94Å
269F92.3Very high89.2Confident14 Ų1469.6 Ų69.66%0.06134%0.335CS..Hα-helixtrans-60.8-37.3179.7-58-24.3000112.4A219 D220 L227 I252 L260 N265 R266 K273A219-F269 HydrophobicContact CB-CD1 4.29Å; A219-F269 HydrophobicContact CB-CE1 3.53Å; A219-F269 HydrophobicContact CB-CZ 3.72Å; D220-F269 HydrophobicContact CB-CE2 4.07Å; L227-F269 HydrophobicContact CD2-CE1 4.16Å; I252-F269 HydrophobicContact CG2-CD1 3.98Å; I252-F269 HydrophobicContact CG2-CE1 3.74Å; L260-F269 HydrophobicContact CD1-CD2 4.42Å; N265-F269 HydrophobicContact CB-CD1 4.33Å; N265-F269 HydrophobicContact CB-CE1 3.75Å; N265-F269 HydrophobicContact CB-CE2 4.03Å; N265-F269 HydrophobicContact CB-CZ 3.59Å; N265-F269 WeakPolarHBondContact O-CG 3.29Å; N265-F269 PolarHBondContact O-N 3.3Å; R266-F269 PolarHBondContact O-N 3.21Å; R266-F269 VanDerWaalsContact O-N 3.13Å; F269-K273 WeakPolarHBondContact O-CB 3.4Å; F269-K273 PolarHBondContact O-N 3.45Å
270E87.2Confident89.6Confident68 Ų6860.9 Ų60.932%0.31830%0.295SS..Hα-helixtrans-66.9-45.5177.1-72.1173179.400112.4R266 L268 K273 M274 F424R266-E270 WeakPolarHBondContact CG-OE1 3.19Å; R266-E270 WeakPolarHBondContact O-CG 3.4Å; R266-E270 PolarHBondContact O-N 2.82Å; L268-E270 VanDerWaalsContact C-N 3.27Å; L268-E270 PolarHBondContact O-N 2.83Å; E270-K273 PolarHBondContact O-N 3.26Å; E270-M274 WeakPolarHBondContact O-CG 3.36Å; E270-M274 PolarHBondContact O-N 2.77Å; E270-F424 HydrophobicContact CB-CD2 3.94Å; E270-F424 HydrophobicContact CB-CE2 3.68Å
271L87.2Confident89.7Confident75 Ų7559.4 Ų59.439%0.39329%0.289SS..Hα-helixtrans-59.5-48175.3-76.5166.4000111.6K267 L268 M274 D275 F424K267-L271 HydrophobicContact CG-CD1 4.39Å; K267-L271 WeakPolarHBondContact O-CG 3.22Å; K267-L271 PolarHBondContact O-N 2.95Å; K267-L271 VanDerWaalsContact O-N 3.12Å; L268-L271 PolarHBondContact O-N 2.76Å; L271-M274 PolarHBondContact O-N 2.66Å; L271-D275 PolarHBondContact O-N 3.02Å; L271-D275 VanDerWaalsContact O-N 3.09Å; L271-F424 HydrophobicContact CD2-CE1 4.12Å; L271-F424 HydrophobicContact CD2-CE2 4.46Å; L271-F424 HydrophobicContact CD2-CZ 3.48Å; L271-F424 VanDerWaalsContact CD2-CZ 3.48Å; L271-F424 HydrophobicContact CG-CE2 4.47Å; L271-F424 HydrophobicContact CG-CZ 3.91Å
272E94.5Very high89.6Confident19 Ų1956.9 Ų56.99%0.08927%0.274CS..Hα-helixtrans-64.7-40.6179.1-70.9-65.9153.700112.3R249 Y251 I252 L268 M274 D275 L276R249-E272 IonicContact CZ-OE1 3.11Å; R249-E272 VanDerWaalsContact CZ-OE1 3.29Å; R249-E272 IonicContact CZ-OE2 3.53Å; R249-E272 VanDerWaalsContact NH1-CD 3.28Å; R249-E272 IonicContact NH1-OE1 2.68Å; R249-E272 PolarHBondContact NH1-OE1 3.06Å; R249-E272 IonicContact NH1-OE2 3.99Å; R249-E272 PolarHBondContact NH1-OE2 2.59Å; R249-E272 IonicContact NH2-OE1 3.16Å; R249-E272 PolarHBondContact NH2-OE1 3.04Å; R249-E272 IonicContact NH2-OE2 2.75Å; R249-E272 PolarHBondContact NH2-OE2 2.88Å; Y251-E272 WeakPolarHBondContact CA-OE2 3.33Å; Y251-E272 WeakPolarHBondContact CD1-O 3.34Å; I252-E272 HydrophobicContact CB-CG 4.3Å; I252-E272 WeakPolarHBondContact O-CB 3.29Å; L268-E272 HydrophobicContact CD1-CG 3.96Å; L268-E272 HydrophobicContact CG-CG 4.36Å; L268-E272 WeakPolarHBondContact O-CB 3.44Å; L268-E272 VanDerWaalsContact O-CG 3.27Å; L268-E272 WeakPolarHBondContact O-CG 3.47Å; L268-E272 PolarHBondContact O-N 2.94Å; E272-M274 VanDerWaalsContact C-N 3.33Å; E272-M274 PolarHBondContact O-N 3.4Å; E272-D275 PolarHBondContact O-N 3.16Å; E272-L276 PolarHBondContact O-N 3.27Å
273K91.7Very high89.7Confident60 Ų6053 Ų5326%0.26126%0.257SS..Hα-helixtrans-57.9-45.8173.7175.4-179.267.4175.60111.1Y75 F255 F269 E270 L276 F277Y75-K273 HydrophobicContact CE1-CD 4.24Å; Y75-K273 WeakPolarHBondContact OH-CD 3.38Å; F255-K273 HydrophobicContact CE1-CB 4.27Å; F255-K273 HydrophobicContact CE1-CG 4.09Å; F269-K273 WeakPolarHBondContact O-CB 3.4Å; F269-K273 PolarHBondContact O-N 3.45Å; E270-K273 PolarHBondContact O-N 3.26Å; K273-L276 PolarHBondContact O-N 2.9Å; K273-F277 HydrophobicContact CD-CE2 4.16Å; K273-F277 HydrophobicContact CD-CZ 4.24Å; K273-F277 HydrophobicContact CG-CD1 4.25Å; K273-F277 HydrophobicContact CG-CD2 4.18Å; K273-F277 HydrophobicContact CG-CE1 4.02Å; K273-F277 HydrophobicContact CG-CE2 3.94Å; K273-F277 HydrophobicContact CG-CG 4.36Å; K273-F277 HydrophobicContact CG-CZ 3.91Å; K273-F277 WeakPolarHBondContact O-CB 3.3Å; K273-F277 VanDerWaalsContact O-CD1 3.27Å; K273-F277 WeakPolarHBondContact O-CD1 3.47Å; K273-F277 VanDerWaalsContact O-CG 3.29Å; K273-F277 WeakPolarHBondContact O-CG 3.27Å; K273-F277 PolarHBondContact O-N 3.42Å
274M86.6Confident89.8Confident67 Ų6750.3 Ų50.333%0.3324%0.243SC..Hα-helixtrans-65.1-42.3179.6-73.2179.687.100113.1E270 L271 E272 L276 F277 R278 F424E270-M274 WeakPolarHBondContact O-CG 3.36Å; E270-M274 PolarHBondContact O-N 2.77Å; L271-M274 PolarHBondContact O-N 2.66Å; E272-M274 VanDerWaalsContact C-N 3.33Å; E272-M274 PolarHBondContact O-N 3.4Å; M274-L276 VanDerWaalsContact C-N 3.28Å; M274-L276 PolarHBondContact O-N 2.92Å; M274-F277 PolarHBondContact O-N 3.46Å; M274-R278 WeakPolarHBondContact O-CB 3.46Å; M274-R278 PolarHBondContact O-N 2.69Å; M274-F424 HydrophobicContact CE-CB 3.9Å; M274-F424 HydrophobicContact CE-CD1 3.34Å; M274-F424 HydrophobicContact CE-CE1 3.9Å; M274-F424 HydrophobicContact CE-CG 3.84Å; M274-F424 HydrophobicContact CG-CB 4.48Å; M274-F424 HydrophobicContact CG-CG 4.32Å; M274-F424 HydrophobicContact SD-CB 3.65Å; M274-F424 HydrophobicContact SD-CD1 2.91Å; M274-F424 WeakPolarHBondContact SD-CD1 3.15Å; M274-F424 HydrophobicContact SD-CD2 3.66Å; M274-F424 HydrophobicContact SD-CE1 3.1Å; M274-F424 WeakPolarHBondContact SD-CE1 3.19Å; M274-F424 HydrophobicContact SD-CE2 3.91Å; M274-F424 HydrophobicContact SD-CG 3.12Å; M274-F424 WeakPolarHBondContact SD-CG 3.48Å; M274-F424 HydrophobicContact SD-CZ 3.63Å
275D91.3Very high89.5Confident56 Ų5645.9 Ų45.930%0.29922%0.218SC..Hα-helixtrans-62.9-39.7178.1-75.2-11.1000111.3R249 Y251 L271 E272 R278 D279R249-D275 IonicContact NH2-OD2 3.57Å; Y251-D275 HydrophobicContact CD1-CB 4.28Å; Y251-D275 HydrophobicContact CE1-CB 3.78Å; L271-D275 PolarHBondContact O-N 3.02Å; L271-D275 VanDerWaalsContact O-N 3.09Å; E272-D275 PolarHBondContact O-N 3.16Å; D275-R278 IonicContact OD1-CZ 2.78Å; D275-R278 IonicContact OD1-NE 2.56Å; D275-R278 IonicContact OD1-NH2 3.91Å; D275-R278 PolarHBondContact OD1-NH2 3.28Å; D275-D279 PolarHBondContact O-N 3.2Å; D275-D279 VanDerWaalsContact O-N 3.12Å
276L93.8Very high89.3Confident0 Ų046.4 Ų46.40%022%0.221CC..Hα-helixtrans-63.2-47.2173.7179.756.8000111.4F72 V215 Y251 F255 E272 K273 M274 R278 D279 L280F72-L276 HydrophobicContact CE2-CD2 3.81Å; F72-L276 HydrophobicContact CZ-CD2 3.68Å; F72-L276 HydrophobicContact CZ-CG 4.49Å; V215-L276 HydrophobicContact CG2-CD1 4.37Å; V215-L276 HydrophobicContact CG2-CD2 3.8Å; Y251-L276 HydrophobicContact CD1-CB 3.71Å; Y251-L276 HydrophobicContact CD2-CB 4.36Å; Y251-L276 HydrophobicContact CD2-CD1 3.81Å; Y251-L276 HydrophobicContact CE1-CB 3.99Å; Y251-L276 HydrophobicContact CE2-CD1 3.87Å; Y251-L276 HydrophobicContact CG-CB 3.9Å; Y251-L276 HydrophobicContact CG-CD1 4.2Å; Y251-L276 HydrophobicContact CG-CD2 4.47Å; Y251-L276 HydrophobicContact CG-CG 4.42Å; F255-L276 HydrophobicContact CE1-CD2 3.89Å; F255-L276 HydrophobicContact CE2-CD2 4.44Å; F255-L276 HydrophobicContact CZ-CD2 3.65Å; E272-L276 PolarHBondContact O-N 3.27Å; K273-L276 PolarHBondContact O-N 2.9Å; M274-L276 VanDerWaalsContact C-N 3.28Å; M274-L276 PolarHBondContact O-N 2.92Å; L276-R278 VanDerWaalsContact C-N 3.31Å; L276-R278 PolarHBondContact O-N 3Å; L276-D279 PolarHBondContact O-N 2.82Å; L276-L280 HydrophobicContact CD1-CD1 4.4Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.41Å; L276-L280 WeakPolarHBondContact O-CG 3.31Å; L276-L280 PolarHBondContact O-N 2.76Å
277F91.8Very high89.1Confident19 Ų1941 Ų418%0.08320%0.202CC..Hα-helixtrans-67.8-34.6-177.7-7615.7000111.7Y75 L76 F255 K273 M274 L280 A281 A414 F415Y75-F277 AromaticContact CD1-CZ 3.98Å; Y75-F277 HydrophobicContact CD1-CZ 3.98Å; Y75-F277 HydrophobicContact CE1-CE1 4.47Å; Y75-F277 HydrophobicContact CE1-CE2 4.3Å; Y75-F277 AromaticContact CE1-CZ 3.57Å; Y75-F277 HydrophobicContact CE1-CZ 3.57Å; L76-F277 HydrophobicContact CD2-CD1 3.94Å; L76-F277 HydrophobicContact CD2-CE1 3.24Å; L76-F277 HydrophobicContact CD2-CE2 4.38Å; L76-F277 HydrophobicContact CD2-CZ 3.47Å; L76-F277 VanDerWaalsContact CD2-CZ 3.47Å; F255-F277 HydrophobicContact CD1-CE1 4.25Å; F255-F277 HydrophobicContact CE1-CE1 4.07Å; K273-F277 HydrophobicContact CD-CE2 4.16Å; K273-F277 HydrophobicContact CD-CZ 4.24Å; K273-F277 HydrophobicContact CG-CD1 4.25Å; K273-F277 HydrophobicContact CG-CD2 4.18Å; K273-F277 HydrophobicContact CG-CE1 4.02Å; K273-F277 HydrophobicContact CG-CE2 3.94Å; K273-F277 HydrophobicContact CG-CG 4.36Å; K273-F277 HydrophobicContact CG-CZ 3.91Å; K273-F277 WeakPolarHBondContact O-CB 3.3Å; K273-F277 VanDerWaalsContact O-CD1 3.27Å; K273-F277 WeakPolarHBondContact O-CD1 3.47Å; K273-F277 VanDerWaalsContact O-CG 3.29Å; K273-F277 WeakPolarHBondContact O-CG 3.27Å; K273-F277 PolarHBondContact O-N 3.42Å; M274-F277 PolarHBondContact O-N 3.46Å; F277-L280 PolarHBondContact O-N 2.81Å; F277-A281 WeakPolarHBondContact O-CB 3.49Å; F277-A281 PolarHBondContact O-N 2.84Å; F277-A414 HydrophobicContact CE2-CB 3.47Å; F277-A414 VanDerWaalsContact CE2-CB 3.47Å; F277-A414 WeakPolarHBondContact CE2-O 3.4Å; F277-A414 HydrophobicContact CZ-CB 3.83Å; F277-F415 HydrophobicContact CB-CD1 4.22Å; F277-F415 HydrophobicContact CB-CE1 4.07Å; F277-F415 HydrophobicContact CG-CD1 4.49Å; F277-F415 HydrophobicContact CG-CE1 4.25Å; F277-F415 WeakPolarHBondContact O-CE1 3.01Å
278R87.6Confident89.2Confident152 Ų15236.7 Ų36.757%0.57418%0.184SC*.Hα-helixtrans-63.4-44.1173-165.6-167.2-36.4-153.29.1111.4M274 D275 L276 A281 T282M274-R278 WeakPolarHBondContact O-CB 3.46Å; M274-R278 PolarHBondContact O-N 2.69Å; D275-R278 IonicContact OD1-CZ 2.78Å; D275-R278 IonicContact OD1-NE 2.56Å; D275-R278 IonicContact OD1-NH2 3.91Å; D275-R278 PolarHBondContact OD1-NH2 3.28Å; L276-R278 VanDerWaalsContact C-N 3.31Å; L276-R278 PolarHBondContact O-N 3Å; R278-A281 PolarHBondContact O-N 2.8Å; R278-T282 WeakPolarHBondContact O-CG2 3.11Å; R278-T282 PolarHBondContact O-N 3.04Å
279D91.1Very high89Confident22 Ų2237.6 Ų37.612%0.11819%0.189CC..Hα-helixtrans-60.3-48.8175.1-174.718.8000110.5R182 R213 D275 L276 A281 T282R182-D279 IonicContact CZ-OD1 3.4Å; R182-D279 IonicContact NE-OD1 3Å; R182-D279 PolarHBondContact NE-OD1 3.1Å; R182-D279 VanDerWaalsContact NE-OD1 3.07Å; R182-D279 IonicContact NE-OD2 2.71Å; R182-D279 PolarHBondContact NE-OD2 3.03Å; R182-D279 IonicContact NH2-OD1 2.95Å; R182-D279 PolarHBondContact NH2-OD1 3.12Å; R213-D279 IonicContact CZ-OD2 3.4Å; R213-D279 IonicContact NE-OD2 2.68Å; R213-D279 PolarHBondContact NE-OD2 2.58Å; R213-D279 IonicContact NH2-OD2 3.3Å; D275-D279 PolarHBondContact O-N 3.2Å; D275-D279 VanDerWaalsContact O-N 3.12Å; L276-D279 PolarHBondContact O-N 2.82Å; D279-A281 PolarHBondContact O-N 2.89Å; D279-T282 PolarHBondContact O-N 3.19Å; D279-T282 PolarHBondContact O-OG1 3.36Å
280L92.8Very high88.8Confident1 Ų138.5 Ų38.51%0.00519%0.192CC..Hα-helixtrans-64.2-39.3178.5-64.2-178.9000113.1V59 L76 I147 R182 I184 L276 F277 T282 L283 F415V59-L280 HydrophobicContact CG1-CD2 4.35Å; V59-L280 HydrophobicContact CG2-CD2 4.19Å; L76-L280 HydrophobicContact CD1-CD1 3.91Å; L76-L280 HydrophobicContact CD2-CD1 4.37Å; I147-L280 WeakPolarHBondContact CD1-O 3.45Å; R182-L280 HydrophobicContact CG-CD2 4.41Å; I184-L280 HydrophobicContact CD1-CD1 4.28Å; I184-L280 HydrophobicContact CD1-CD2 4.19Å; L276-L280 HydrophobicContact CD1-CD1 4.4Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.41Å; L276-L280 WeakPolarHBondContact O-CG 3.31Å; L276-L280 PolarHBondContact O-N 2.76Å; F277-L280 PolarHBondContact O-N 2.81Å; L280-T282 PolarHBondContact O-N 3.33Å; L280-L283 HydrophobicContact CD2-CD1 3.97Å; L280-L283 WeakPolarHBondContact O-CB 3.37Å; L280-L283 WeakPolarHBondContact O-CG 3.41Å; L280-L283 PolarHBondContact O-N 2.83Å; L280-L283 VanDerWaalsContact O-N 3.13Å; L280-F415 HydrophobicContact CB-CE1 4Å; L280-F415 HydrophobicContact CB-CZ 4.12Å; L280-F415 HydrophobicContact CD1-CZ 4.47Å
281A88.9Confident89Confident13 Ų1336.9 Ų36.911%0.10718%0.184CC..Hα-helixtrans-63.8-27179.700000112.6F277 R278 D279 L283 P284 A409 F415F277-A281 WeakPolarHBondContact O-CB 3.49Å; F277-A281 PolarHBondContact O-N 2.84Å; R278-A281 PolarHBondContact O-N 2.8Å; D279-A281 PolarHBondContact O-N 2.89Å; A281-L283 VanDerWaalsContact C-N 3.3Å; A281-L283 PolarHBondContact O-N 3.03Å; A281-P284 WeakPolarHBondContact O-CD 3.29Å; A281-A409 HydrophobicContact CB-CB 4.13Å; A281-F415 HydrophobicContact CB-CD1 4.17Å; A281-F415 HydrophobicContact CB-CE1 4.39Å
282T86.7Confident89.2Confident48 Ų4833.4 Ų33.429%0.29417%0.166SC..THydrogen-bonded Turntrans-82.2-4.2179.171.10000113.8R278 D279 L280 N286R278-T282 WeakPolarHBondContact O-CG2 3.11Å; R278-T282 PolarHBondContact O-N 3.04Å; D279-T282 PolarHBondContact O-N 3.19Å; D279-T282 PolarHBondContact O-OG1 3.36Å; L280-T282 PolarHBondContact O-N 3.33Å; T282-N286 WeakPolarHBondContact CB-ND2 3.45Å; T282-N286 WeakPolarHBondContact O-CB 3.49Å; T282-N286 PolarHBondContact O-N 2.84Å; T282-N286 PolarHBondContact O-ND2 2.85Å; T282-N286 VanDerWaalsContact O-ND2 3.07Å; T282-N286 PolarHBondContact OG1-ND2 2.89Å
283L90.5Very high89Confident0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-61.7-46.3-175.2-61.1-178.4000113.8P57 V59 I147 R182 L280 A281 A285 N286 G287 R290P57-L283 HydrophobicContact CB-CB 3.99Å; P57-L283 HydrophobicContact CG-CB 4.48Å; V59-L283 HydrophobicContact CG2-CD1 3.38Å; I147-L283 HydrophobicContact CD1-CB 4.3Å; I147-L283 HydrophobicContact CD1-CD1 4.08Å; R182-L283 HydrophobicContact CB-CD1 4.28Å; R182-L283 HydrophobicContact CG-CD1 3.7Å; R182-L283 HydrophobicContact CG-CD2 3.41Å; R182-L283 VanDerWaalsContact CG-CD2 3.41Å; R182-L283 HydrophobicContact CG-CG 4.17Å; L280-L283 HydrophobicContact CD2-CD1 3.97Å; L280-L283 WeakPolarHBondContact O-CB 3.37Å; L280-L283 WeakPolarHBondContact O-CG 3.41Å; L280-L283 PolarHBondContact O-N 2.83Å; L280-L283 VanDerWaalsContact O-N 3.13Å; A281-L283 VanDerWaalsContact C-N 3.3Å; A281-L283 PolarHBondContact O-N 3.03Å; L283-A285 PolarHBondContact O-N 3.34Å; L283-N286 CarbonylContact O-C 3.55Å; L283-N286 PolarHBondContact O-N 3.13Å; L283-G287 PolarHBondContact O-N 2.8Å; L283-R290 VanDerWaalsContact CD2-CZ 3.43Å; L283-R290 VanDerWaalsContact CD2-NH1 3.3Å; L283-R290 PolarHBondContact O-NH1 2.81Å
284P87.6Confident89Confident25 Ų2534.7 Ų34.716%0.16218%0.176CC..Hα-helixtrans-56.9-49.5178.5-25.236.2000112.6I147 A281 N286 G287 V410I147-P284 HydrophobicContact CG1-CG 4.36Å; A281-P284 WeakPolarHBondContact O-CD 3.29Å; P284-N286 PolarHBondContact O-N 3.36Å; P284-G287 PolarHBondContact O-N 2.8Å; P284-V410 HydrophobicContact CG-CG2 3.91Å
285A82.6Confident89.3Confident14 Ų1431.8 Ų31.812%0.11616%0.161CC..Hα-helixtrans-65.5-23.8-179.200000113.7L283 R399L283-A285 PolarHBondContact O-N 3.34Å; A285-R399 HydrophobicContact CB-CG 4.32Å
286N85Confident89.5Confident35 Ų3530.3 Ų30.319%0.18715%0.153CC..Hα-helixtrans-104.9-2.9-178.5-68.2-39.3000113.5T282 L283 P284 T288 L289 R290T282-N286 WeakPolarHBondContact CB-ND2 3.45Å; T282-N286 WeakPolarHBondContact O-CB 3.49Å; T282-N286 PolarHBondContact O-N 2.84Å; T282-N286 PolarHBondContact O-ND2 2.85Å; T282-N286 VanDerWaalsContact O-ND2 3.07Å; T282-N286 PolarHBondContact OG1-ND2 2.89Å; L283-N286 CarbonylContact O-C 3.55Å; L283-N286 PolarHBondContact O-N 3.13Å; P284-N286 PolarHBondContact O-N 3.36Å; N286-T288 PolarHBondContact O-N 2.91Å; N286-L289 PolarHBondContact O-N 2.89Å; N286-R290 PolarHBondContact O-N 3.48Å; N286-R290 VanDerWaalsContact O-N 3.1Å
287G85Confident89.4Confident5 Ų534.4 Ų34.45%0.05217%0.169CC..Hα-helixtrans-60.1-45.7-173.300000112.5L283 P284 L289 R290 K291L283-G287 PolarHBondContact O-N 2.8Å; P284-G287 PolarHBondContact O-N 2.8Å; G287-L289 PolarHBondContact O-N 3.28Å; G287-R290 PolarHBondContact O-N 3.48Å; G287-K291 PolarHBondContact O-N 3.46Å
288T87.3Confident89.5Confident12 Ų1234.8 Ų34.87%0.07417%0.17CC..Hα-helixtrans-59.3-44.7177.8-55.70000112.2V19 N286 R290 K291 L292 I395 E398V19-T288 HydrophobicContact CB-CG2 3.43Å; V19-T288 VanDerWaalsContact CB-CG2 3.43Å; V19-T288 HydrophobicContact CG1-CG2 3.43Å; V19-T288 VanDerWaalsContact CG1-CG2 3.43Å; V19-T288 HydrophobicContact CG2-CG2 4.1Å; N286-T288 PolarHBondContact O-N 2.91Å; T288-R290 VanDerWaalsContact C-N 3.31Å; T288-R290 PolarHBondContact O-N 2.98Å; T288-K291 PolarHBondContact O-N 2.97Å; T288-L292 WeakPolarHBondContact O-CB 3.46Å; T288-L292 PolarHBondContact O-N 3.17Å; T288-I395 HydrophobicContact CG2-CD1 3.59Å; T288-E398 WeakPolarHBondContact CB-OE1 3.24Å; T288-E398 WeakPolarHBondContact CG2-OE1 3.49Å; T288-E398 PolarHBondContact OG1-OE1 3.49Å
289L87.5Confident89.9Confident84 Ų8427.5 Ų27.544%0.4414%0.142SC..Hα-helixtrans-63.5-37.7178.1-179.861.4000111.8N286 G287 L292 N293 I395N286-L289 PolarHBondContact O-N 2.89Å; G287-L289 PolarHBondContact O-N 3.28Å; L289-L292 PolarHBondContact O-N 2.78Å; L289-N293 PolarHBondContact O-N 2.85Å; L289-I395 HydrophobicContact CB-CD1 4.3Å; L289-I395 HydrophobicContact CB-CG2 4.27Å; L289-I395 HydrophobicContact CD1-CD1 4.49Å; L289-I395 HydrophobicContact CD1-CG1 4.36Å; L289-I395 HydrophobicContact CD1-CG2 4.38Å
290R88Confident90.1Very high33 Ų3332.2 Ų32.213%0.12516%0.158CC..Hα-helixtrans-68-45.1176.1-69.2-167.8-163.996.63.4112.1D181 R182 L283 N286 G287 T288 L292 N293 D294D181-R290 IonicContact OD1-NH1 3.5Å; R182-R290 VanDerWaalsContact NH1-NE 3.12Å; L283-R290 VanDerWaalsContact CD2-CZ 3.43Å; L283-R290 VanDerWaalsContact CD2-NH1 3.3Å; L283-R290 PolarHBondContact O-NH1 2.81Å; N286-R290 PolarHBondContact O-N 3.48Å; N286-R290 VanDerWaalsContact O-N 3.1Å; G287-R290 PolarHBondContact O-N 3.48Å; T288-R290 VanDerWaalsContact C-N 3.31Å; T288-R290 PolarHBondContact O-N 2.98Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.09Å; R290-N293 WeakPolarHBondContact O-CB 3.5Å; R290-N293 PolarHBondContact O-N 3.39Å; R290-D294 PolarHBondContact O-N 3.4Å
291K91.4Very high90.2Very high34 Ų3434.3 Ų34.315%0.14817%0.169CC..Hα-helixtrans-57.6-41.9174.6-74.4177.8177.9168.40112L23 F53 S55 G287 T288 D294 F295L23-K291 HydrophobicContact CD1-CB 4.13Å; F53-K291 PolarHBondContact O-NZ 3.48Å; S55-K291 WeakPolarHBondContact O-CE 3.46Å; S55-K291 PolarHBondContact O-NZ 2.93Å; G287-K291 PolarHBondContact O-N 3.46Å; T288-K291 PolarHBondContact O-N 2.97Å; K291-D294 PolarHBondContact O-N 2.87Å; K291-F295 VanDerWaalsContact O-CB 3.29Å; K291-F295 WeakPolarHBondContact O-CB 3.39Å; K291-F295 PolarHBondContact O-N 3.2Å
292L92.3Very high90.6Very high3 Ų333.8 Ų33.82%0.01617%0.165CC..Hα-helixtrans-60.3-45.5173.9179.563000111.6L23 T288 L289 R290 F295 I296 V388 L391 V392 I395L23-L292 HydrophobicContact CD1-CB 4.41Å; L23-L292 HydrophobicContact CD2-CD1 3.68Å; T288-L292 WeakPolarHBondContact O-CB 3.46Å; T288-L292 PolarHBondContact O-N 3.17Å; L289-L292 PolarHBondContact O-N 2.78Å; R290-L292 VanDerWaalsContact C-N 3.27Å; R290-L292 PolarHBondContact O-N 3.09Å; L292-F295 PolarHBondContact O-N 2.93Å; L292-I296 HydrophobicContact CD1-CD1 4.32Å; L292-I296 HydrophobicContact CG-CD1 4.14Å; L292-I296 WeakPolarHBondContact O-CD1 3.34Å; L292-I296 VanDerWaalsContact O-CG1 3.24Å; L292-I296 WeakPolarHBondContact O-CG1 3.18Å; L292-I296 PolarHBondContact O-N 2.92Å; L292-V388 HydrophobicContact CD1-CG1 4.21Å; L292-L391 HydrophobicContact CD1-CB 4.21Å; L292-L391 HydrophobicContact CD1-CD1 4.33Å; L292-V392 HydrophobicContact CD2-CB 4.47Å; L292-V392 HydrophobicContact CD2-CG2 3.63Å; L292-I395 HydrophobicContact CD2-CD1 4.19Å; L292-I395 HydrophobicContact CD2-CG1 4.18Å
293N90.4Very high91.1Very high67 Ų6733.3 Ų33.336%0.35816%0.159SC..Hα-helixtrans-62.2-45.5176.6-170.834000112.2L289 R290 F295 I296 R297L289-N293 PolarHBondContact O-N 2.85Å; R290-N293 WeakPolarHBondContact O-CB 3.5Å; R290-N293 PolarHBondContact O-N 3.39Å; N293-F295 VanDerWaalsContact C-N 3.34Å; N293-F295 PolarHBondContact O-N 3.07Å; N293-I296 PolarHBondContact O-N 3.03Å; N293-R297 PolarHBondContact ND2-NH2 3.09Å; N293-R297 WeakPolarHBondContact O-CG 3.24Å; N293-R297 PolarHBondContact O-N 3.36Å
294D90.6Very high91.4Very high38 Ų3833.4 Ų33.420%0.20316%0.159CC..Hα-helixtrans-62.6-40.9177.4-75.5-15.6000111.9K211 R290 K291 R297 R298K211-D294 IonicContact NZ-OD1 2.63Å; K211-D294 PolarHBondContact NZ-OD1 3.22Å; K211-D294 IonicContact NZ-OD2 2.98Å; K211-D294 PolarHBondContact NZ-OD2 3.34Å; R290-D294 PolarHBondContact O-N 3.4Å; K291-D294 PolarHBondContact O-N 2.87Å; D294-R297 PolarHBondContact O-N 2.56Å; D294-R297 IonicContact OD1-CZ 3.5Å; D294-R297 IonicContact OD1-NE 2.73Å; D294-R297 PolarHBondContact OD1-NE 3.35Å; D294-R297 IonicContact OD1-NH2 3.54Å; D294-R297 PolarHBondContact OD1-NH2 2.83Å; D294-R298 WeakPolarHBondContact O-CB 3.43Å; D294-R298 PolarHBondContact O-N 2.91Å
295F93.8Very high91.9Very high6 Ų632.2 Ų32.23%0.02615%0.152CC..Hα-helixtrans-60.8-44.8173.9179.5-103000112.2L23 L26 Y27 L31 K291 L292 N293 R298 A299 M383 V388L23-F295 HydrophobicContact CD2-CB 3.86Å; L23-F295 HydrophobicContact CD2-CD1 3.5Å; L23-F295 VanDerWaalsContact CD2-CD1 3.5Å; L23-F295 HydrophobicContact CD2-CD2 4.39Å; L23-F295 HydrophobicContact CD2-CE1 4.11Å; L23-F295 HydrophobicContact CD2-CG 3.65Å; L26-F295 HydrophobicContact CB-CE1 4.39Å; L26-F295 HydrophobicContact CB-CZ 4.03Å; Y27-F295 HydrophobicContact CD2-CE2 4.09Å; Y27-F295 HydrophobicContact CG-CE2 4.41Å; L31-F295 HydrophobicContact CD2-CD2 4.38Å; L31-F295 HydrophobicContact CD2-CE2 3.81Å; L31-F295 HydrophobicContact CD2-CZ 4.26Å; K291-F295 VanDerWaalsContact O-CB 3.29Å; K291-F295 WeakPolarHBondContact O-CB 3.39Å; K291-F295 PolarHBondContact O-N 3.2Å; L292-F295 PolarHBondContact O-N 2.93Å; N293-F295 VanDerWaalsContact C-N 3.34Å; N293-F295 PolarHBondContact O-N 3.07Å; F295-R298 PolarHBondContact O-N 2.84Å; F295-A299 WeakPolarHBondContact O-CB 3.49Å; F295-A299 PolarHBondContact O-N 3.41Å; F295-M383 HydrophobicContact CE1-CE 3.84Å; F295-M383 HydrophobicContact CE1-CG 4.43Å; F295-M383 HydrophobicContact CE1-SD 3.81Å; F295-M383 HydrophobicContact CZ-CE 3.85Å; F295-M383 HydrophobicContact CZ-SD 3.57Å; F295-M383 VanDerWaalsContact CZ-SD 3.57Å; F295-V388 HydrophobicContact CE1-CG2 4.47Å
296I93.9Very high92.6Very high26 Ų2631.6 Ų31.613%0.13315%0.146CC..Hα-helixtrans-62.3-45.5176.8-67.2161.9000110.8L292 N293 A299 R300 L384 V388L292-I296 HydrophobicContact CD1-CD1 4.32Å; L292-I296 HydrophobicContact CG-CD1 4.14Å; L292-I296 WeakPolarHBondContact O-CD1 3.34Å; L292-I296 VanDerWaalsContact O-CG1 3.24Å; L292-I296 WeakPolarHBondContact O-CG1 3.18Å; L292-I296 PolarHBondContact O-N 2.92Å; N293-I296 PolarHBondContact O-N 3.03Å; I296-A299 PolarHBondContact O-N 3.37Å; I296-R300 WeakPolarHBondContact O-CG 3.36Å; I296-R300 PolarHBondContact O-N 3.04Å; I296-L384 HydrophobicContact CG1-CD2 4.44Å; I296-L384 HydrophobicContact CG2-CD2 4.17Å; I296-V388 HydrophobicContact CD1-CG1 3.54Å; I296-V388 HydrophobicContact CG1-CG1 3.83Å; I296-V388 HydrophobicContact CG1-CG2 4.3Å
297R91.9Very high93.3Very high86 Ų8631.2 Ų31.233%0.32514%0.143SC..Hα-helixtrans-57.9-49176.6-74.1-168.3-82.6-141.80.9111.1D210 N293 D294 A299 R300 L301D210-R297 IonicContact OD1-NH1 3.33Å; D210-R297 PolarHBondContact OD1-NH1 2.92Å; D210-R297 IonicContact OD2-CZ 3.09Å; D210-R297 IonicContact OD2-NH1 2.78Å; D210-R297 PolarHBondContact OD2-NH1 3.46Å; D210-R297 IonicContact OD2-NH2 3.48Å; D210-R297 PolarHBondContact OD2-NH2 3.44Å; N293-R297 PolarHBondContact ND2-NH2 3.09Å; N293-R297 WeakPolarHBondContact O-CG 3.24Å; N293-R297 PolarHBondContact O-N 3.36Å; D294-R297 PolarHBondContact O-N 2.56Å; D294-R297 IonicContact OD1-CZ 3.5Å; D294-R297 IonicContact OD1-NE 2.73Å; D294-R297 PolarHBondContact OD1-NE 3.35Å; D294-R297 IonicContact OD1-NH2 3.54Å; D294-R297 PolarHBondContact OD1-NH2 2.83Å; R297-A299 PolarHBondContact O-N 3.46Å; R297-R300 PolarHBondContact O-N 3.36Å; R297-L301 PolarHBondContact O-N 3.47Å
298R94.2Very high93.9Very high26 Ų2631 Ų3110%0.09814%0.14CC..Hα-helixtrans-59.6-46.2177-174.2-177-179.994.42.4112.1L31 E35 F40 S45 P46 D294 F295 R300 L301 A302L31-R298 HydrophobicContact CD2-CG 4.42Å; E35-R298 WeakPolarHBondContact OE1-CD 3.27Å; E35-R298 IonicContact OE1-CZ 3.92Å; E35-R298 IonicContact OE1-NE 3.73Å; E35-R298 PolarHBondContact OE1-NE 2.9Å; E35-R298 IonicContact OE1-NH2 2.66Å; E35-R298 IonicContact OE2-CZ 3.11Å; E35-R298 IonicContact OE2-NE 2.97Å; E35-R298 PolarHBondContact OE2-NE 3.07Å; E35-R298 IonicContact OE2-NH2 2.75Å; E35-R298 PolarHBondContact OE2-NH2 3.26Å; F40-R298 HydrophobicContact CZ-CG 4.3Å; S45-R298 PolarHBondContact O-NH2 3.47Å; S45-R298 PolarHBondContact OG-NH1 2.96Å; P46-R298 PolarHBondContact O-NH1 2.89Å; P46-R298 PolarHBondContact O-NH2 3.42Å; D294-R298 WeakPolarHBondContact O-CB 3.43Å; D294-R298 PolarHBondContact O-N 2.91Å; F295-R298 PolarHBondContact O-N 2.84Å; R298-R300 PolarHBondContact O-N 3.49Å; R298-L301 PolarHBondContact O-N 2.87Å; R298-A302 WeakPolarHBondContact O-CB 3.11Å; R298-A302 PolarHBondContact O-N 3.36Å
299A96.3Very high94.4Very high0 Ų030.4 Ų30.40%014%0.137CC..Hα-helixtrans-61.2-41.9179.600000112.7L31 F295 I296 R297 K303 M383 L384L31-A299 HydrophobicContact CD1-CB 4.15Å; L31-A299 HydrophobicContact CD2-CB 3.9Å; F295-A299 WeakPolarHBondContact O-CB 3.49Å; F295-A299 PolarHBondContact O-N 3.41Å; I296-A299 PolarHBondContact O-N 3.37Å; R297-A299 PolarHBondContact O-N 3.46Å; A299-K303 WeakPolarHBondContact O-CB 3.36Å; A299-K303 PolarHBondContact O-N 2.81Å; A299-M383 HydrophobicContact CB-CE 3.51Å; A299-L384 HydrophobicContact CB-CD1 4.37Å; A299-L384 HydrophobicContact CB-CD2 3.89Å; A299-L384 HydrophobicContact CB-CG 4.36Å
300R95.1Very high94.8Very high120 Ų12027 Ų2745%0.45312%0.119SC..Hα-helixtrans-63.3-48.6174.2-71.6179.7-175176.23.7111.1I296 R297 R298 A302 K303 V304 L384I296-R300 WeakPolarHBondContact O-CG 3.36Å; I296-R300 PolarHBondContact O-N 3.04Å; R297-R300 PolarHBondContact O-N 3.36Å; R298-R300 PolarHBondContact O-N 3.49Å; R300-A302 VanDerWaalsContact C-N 3.33Å; R300-A302 PolarHBondContact O-N 2.91Å; R300-K303 WeakPolarHBondContact O-CB 3.34Å; R300-K303 PolarHBondContact O-N 2.78Å; R300-K303 VanDerWaalsContact O-N 3.17Å; R300-V304 WeakPolarHBondContact O-CG2 3.41Å; R300-V304 PolarHBondContact O-N 3.16Å; R300-L384 HydrophobicContact CG-CD1 4.17Å
301L95.4Very high95.3Very high46 Ų4628 Ų2824%0.24112%0.124CC..Hα-helixtrans-58.6-44.3178.1-178.161.6000111.7F40 H44 R297 R298 K303 V304 H305 P352F40-L301 HydrophobicContact CE2-CB 4.47Å; F40-L301 HydrophobicContact CE2-CD2 4.23Å; F40-L301 HydrophobicContact CE2-CG 4Å; F40-L301 HydrophobicContact CZ-CD2 4.15Å; F40-L301 HydrophobicContact CZ-CG 4.39Å; H44-L301 HydrophobicContact CB-CD2 4.46Å; R297-L301 PolarHBondContact O-N 3.47Å; R298-L301 PolarHBondContact O-N 2.87Å; L301-K303 PolarHBondContact O-N 3.26Å; L301-V304 PolarHBondContact O-N 3.37Å; L301-H305 VanDerWaalsContact O-CB 3.23Å; L301-H305 WeakPolarHBondContact O-CB 3.35Å; L301-H305 PolarHBondContact O-N 3.18Å; L301-P352 HydrophobicContact CD1-CB 4.06Å; L301-P352 HydrophobicContact CD1-CG 4.31Å
302A97.2Very high95.6Very high2 Ų226.4 Ų26.42%0.01712%0.117CC..Hα-helixtrans-62.4-40.717700000112.4L31 L34 E35 F40 R298 R300 H305 A306L31-A302 HydrophobicContact CD1-CB 3.79Å; L34-A302 HydrophobicContact CD2-CB 4.12Å; E35-A302 HydrophobicContact CG-CB 3.95Å; F40-A302 HydrophobicContact CD2-CB 3.79Å; F40-A302 HydrophobicContact CE2-CB 3.78Å; R298-A302 WeakPolarHBondContact O-CB 3.11Å; R298-A302 PolarHBondContact O-N 3.36Å; R300-A302 VanDerWaalsContact C-N 3.33Å; R300-A302 PolarHBondContact O-N 2.91Å; A302-H305 PolarHBondContact O-N 2.84Å; A302-A306 WeakPolarHBondContact O-CB 3.23Å; A302-A306 PolarHBondContact O-N 3.26Å
303K96.7Very high95.7Very high38 Ų3829.7 Ų29.717%0.16513%0.131CC..Hα-helixtrans-62.1-47.7174.7-167.4179.781.8178.10111.6A299 R300 L301 A306 Y307 I377 V380 D381A299-K303 WeakPolarHBondContact O-CB 3.36Å; A299-K303 PolarHBondContact O-N 2.81Å; R300-K303 WeakPolarHBondContact O-CB 3.34Å; R300-K303 PolarHBondContact O-N 2.78Å; R300-K303 VanDerWaalsContact O-N 3.17Å; L301-K303 PolarHBondContact O-N 3.26Å; K303-A306 WeakPolarHBondContact O-CB 3.43Å; K303-A306 PolarHBondContact O-N 3.21Å; K303-Y307 HydrophobicContact CD-CE2 4.36Å; K303-Y307 HydrophobicContact CG-CD2 4.38Å; K303-Y307 HydrophobicContact CG-CE2 3.87Å; K303-Y307 WeakPolarHBondContact O-CD2 3.45Å; K303-Y307 PolarHBondContact O-N 2.96Å; K303-I377 HydrophobicContact CG-CD1 4.14Å; K303-V380 HydrophobicContact CB-CG1 4.44Å; K303-D381 VanDerWaalsContact CD-OD1 3.25Å; K303-D381 WeakPolarHBondContact CD-OD1 3.45Å; K303-D381 IonicContact NZ-OD1 3.22Å; K303-D381 PolarHBondContact NZ-OD1 3.06Å
304V97.2Very high96Very high1 Ų134.2 Ų34.21%0.00615%0.147CC..Hα-helixtrans-63-44.4177.7177.20000111R300 L301 A306 Y307 V308 I346 D350 F351R300-V304 WeakPolarHBondContact O-CG2 3.41Å; R300-V304 PolarHBondContact O-N 3.16Å; L301-V304 PolarHBondContact O-N 3.37Å; V304-A306 VanDerWaalsContact C-N 3.32Å; V304-A306 PolarHBondContact O-N 2.83Å; V304-Y307 WeakPolarHBondContact O-CB 3.29Å; V304-Y307 PolarHBondContact O-N 2.5Å; V304-Y307 VanDerWaalsContact O-N 3.12Å; V304-V308 HydrophobicContact CG1-CG2 4.48Å; V304-V308 WeakPolarHBondContact O-CG2 3.44Å; V304-V308 PolarHBondContact O-N 3.26Å; V304-I346 HydrophobicContact CG2-CD1 4.11Å; V304-I346 HydrophobicContact CG2-CG2 3.65Å; V304-D350 HydrophobicContact CG2-CB 3.99Å; V304-F351 HydrophobicContact CG1-CB 4.26Å; V304-F351 HydrophobicContact CG1-CD1 3.35Å; V304-F351 HydrophobicContact CG1-CD2 3.94Å; V304-F351 HydrophobicContact CG1-CE1 3.53Å; V304-F351 HydrophobicContact CG1-CE2 4.1Å; V304-F351 HydrophobicContact CG1-CG 3.59Å; V304-F351 HydrophobicContact CG1-CZ 3.91Å
305H97.9Very high96.2Very high1 Ų135.4 Ų35.41%0.00515%0.152CC..Hα-helixtrans-58.2-43.2175.9-179.971000112.1Y38 F40 F43 H44 L301 A302 Y307 V308 I309Y38-H305 PolarHBondContact O-NE2 3.21Å; F40-H305 HydrophobicContact CD2-CB 4.28Å; F43-H305 AromaticContact CD2-CE1 3.38Å; F43-H305 WeakPolarHBondContact CD2-CE1 3.19Å; F43-H305 AromaticContact CD2-NE2 3.65Å; F43-H305 AromaticContact CG-CE1 3.42Å; F43-H305 VanDerWaalsContact CG-CE1 3.42Å; F43-H305 WeakPolarHBondContact CG-CE1 3.25Å; H44-H305 AromaticContact CD2-CG 3.97Å; H44-H305 AromaticContact CD2-ND1 3.89Å; H44-H305 AromaticContact NE2-CE1 3.63Å; H44-H305 AromaticContact NE2-CG 3.4Å; H44-H305 AromaticContact NE2-ND1 3.05Å; H44-H305 PolarHBondContact NE2-ND1 3.48Å; L301-H305 VanDerWaalsContact O-CB 3.23Å; L301-H305 WeakPolarHBondContact O-CB 3.35Å; L301-H305 PolarHBondContact O-N 3.18Å; A302-H305 PolarHBondContact O-N 2.84Å; H305-Y307 VanDerWaalsContact C-N 3.31Å; H305-Y307 PolarHBondContact O-N 3.13Å; H305-V308 PolarHBondContact O-N 2.82Å; H305-V308 VanDerWaalsContact O-N 3.14Å; H305-I309 VanDerWaalsContact CE1-CG1 3.49Å; H305-I309 WeakPolarHBondContact CE1-CG1 3.26Å; H305-I309 WeakPolarHBondContact NE2-CG1 3.41Å; H305-I309 WeakPolarHBondContact O-CG1 3.42Å; H305-I309 PolarHBondContact O-N 3.27Å
306A98.2Very high96.2Very high0 Ų036.2 Ų36.20%016%0.156CC..Hα-helixtrans-58.5-40.8175.100000112.6L34 Y38 A302 K303 V304 S310 I377L34-A306 HydrophobicContact CD1-CB 4.11Å; L34-A306 HydrophobicContact CD2-CB 4.38Å; L34-A306 HydrophobicContact CG-CB 4.34Å; Y38-A306 HydrophobicContact CD1-CB 3.95Å; Y38-A306 HydrophobicContact CD2-CB 3.38Å; Y38-A306 HydrophobicContact CE1-CB 4.16Å; Y38-A306 HydrophobicContact CE2-CB 3.61Å; Y38-A306 HydrophobicContact CG-CB 3.57Å; A302-A306 WeakPolarHBondContact O-CB 3.23Å; A302-A306 PolarHBondContact O-N 3.26Å; K303-A306 WeakPolarHBondContact O-CB 3.43Å; K303-A306 PolarHBondContact O-N 3.21Å; V304-A306 VanDerWaalsContact C-N 3.32Å; V304-A306 PolarHBondContact O-N 2.83Å; A306-S310 VanDerWaalsContact O-CB 3.25Å; A306-S310 WeakPolarHBondContact O-CB 3.43Å; A306-S310 PolarHBondContact O-N 3.35Å; A306-S310 PolarHBondContact O-OG 3.15Å; A306-I377 HydrophobicContact CB-CD1 3.95Å
307Y98.2Very high96Very high28 Ų2836.9 Ų36.911%0.1116%0.162CC..Hα-helixtrans-64.5-43.7173.7-73-62000112.4K303 V304 H305 S310 Y311 I340 Q344 I346 L372 I377K303-Y307 HydrophobicContact CD-CE2 4.36Å; K303-Y307 HydrophobicContact CG-CD2 4.38Å; K303-Y307 HydrophobicContact CG-CE2 3.87Å; K303-Y307 WeakPolarHBondContact O-CD2 3.45Å; K303-Y307 PolarHBondContact O-N 2.96Å; V304-Y307 WeakPolarHBondContact O-CB 3.29Å; V304-Y307 PolarHBondContact O-N 2.5Å; V304-Y307 VanDerWaalsContact O-N 3.12Å; H305-Y307 VanDerWaalsContact C-N 3.31Å; H305-Y307 PolarHBondContact O-N 3.13Å; Y307-S310 PolarHBondContact O-N 2.88Å; Y307-Y311 VanDerWaalsContact O-CB 3.25Å; Y307-Y311 WeakPolarHBondContact O-CB 3.34Å; Y307-Y311 PolarHBondContact O-N 2.73Å; Y307-I340 HydrophobicContact CG-CG2 4.33Å; Y307-Q344 HydrophobicContact CD1-CG 3.9Å; Y307-Q344 HydrophobicContact CD2-CG 4.35Å; Y307-Q344 HydrophobicContact CE1-CG 3.86Å; Y307-Q344 VanDerWaalsContact CE1-OE1 3.31Å; Y307-Q344 HydrophobicContact CE2-CB 4.43Å; Y307-Q344 HydrophobicContact CE2-CG 4.31Å; Y307-Q344 HydrophobicContact CG-CG 4.15Å; Y307-Q344 PolarHBondContact OH-OE1 3.09Å; Y307-I346 HydrophobicContact CD2-CD1 3.62Å; Y307-I346 HydrophobicContact CE2-CD1 3.64Å; Y307-L372 HydrophobicContact CD1-CD1 3.88Å; Y307-L372 HydrophobicContact CD1-CD2 4.04Å; Y307-L372 HydrophobicContact CE1-CD1 4.12Å; Y307-L372 HydrophobicContact CE1-CD2 3.78Å; Y307-I377 VanDerWaalsContact OH-CG2 3.29Å; Y307-I377 WeakPolarHBondContact OH-CG2 3.48Å
308V97.8Very high95.6Very high0 Ų038.9 Ų38.90%018%0.184CC..Hα-helixtrans-60-53.6177.5173.20000110.5V304 H305 S310 Y311 L312 L333 Y337 I340 F351 M357V304-V308 HydrophobicContact CG1-CG2 4.48Å; V304-V308 WeakPolarHBondContact O-CG2 3.44Å; V304-V308 PolarHBondContact O-N 3.26Å; H305-V308 PolarHBondContact O-N 2.82Å; H305-V308 VanDerWaalsContact O-N 3.14Å; V308-S310 VanDerWaalsContact C-N 3.33Å; V308-S310 PolarHBondContact O-N 2.87Å; V308-Y311 PolarHBondContact O-N 2.83Å; V308-L312 HydrophobicContact CG1-CD1 4Å; V308-L312 HydrophobicContact CG1-CG 4.42Å; V308-L312 VanDerWaalsContact O-CG 3.29Å; V308-L312 WeakPolarHBondContact O-CG 3.49Å; V308-L312 PolarHBondContact O-N 3.05Å; V308-L333 HydrophobicContact CG1-CD1 4.49Å; V308-Y337 HydrophobicContact CB-CE1 4.48Å; V308-Y337 HydrophobicContact CG1-CE1 3.98Å; V308-Y337 HydrophobicContact CG2-CD1 3.98Å; V308-Y337 HydrophobicContact CG2-CE1 3.59Å; V308-I340 HydrophobicContact CB-CD1 4.34Å; V308-I340 HydrophobicContact CG2-CD1 3.84Å; V308-F351 HydrophobicContact CG2-CD1 4.15Å; V308-F351 HydrophobicContact CG2-CE1 4.14Å; V308-M357 HydrophobicContact CG1-CE 4.01Å
309I98Very high94.9Very high0 Ų043.9 Ų43.90%021%0.211CC..Hα-helixtrans-59.2-44.1-179.4-67.4-61000111.3Y38 F43 H305 L312 K313 M357 L361 F369 P370Y38-I309 HydrophobicContact CD1-CB 4.19Å; Y38-I309 HydrophobicContact CD1-CG2 3.97Å; F43-I309 HydrophobicContact CE2-CD1 4.06Å; F43-I309 HydrophobicContact CZ-CD1 3.96Å; H305-I309 VanDerWaalsContact CE1-CG1 3.49Å; H305-I309 WeakPolarHBondContact CE1-CG1 3.26Å; H305-I309 WeakPolarHBondContact NE2-CG1 3.41Å; H305-I309 WeakPolarHBondContact O-CG1 3.42Å; H305-I309 PolarHBondContact O-N 3.27Å; I309-L312 PolarHBondContact O-N 2.81Å; I309-K313 PolarHBondContact O-N 2.91Å; I309-M357 HydrophobicContact CD1-CE 4.07Å; I309-L361 HydrophobicContact CD1-CD2 4.39Å; I309-F369 HydrophobicContact CD1-CD2 4.14Å; I309-F369 HydrophobicContact CD1-CE1 4.3Å; I309-F369 HydrophobicContact CD1-CE2 3.75Å; I309-F369 HydrophobicContact CD1-CZ 3.84Å; I309-F369 HydrophobicContact CG2-CB 3.67Å; I309-F369 HydrophobicContact CG2-CD1 4.13Å; I309-F369 HydrophobicContact CG2-CD2 3.86Å; I309-F369 HydrophobicContact CG2-CG 3.64Å; I309-P370 HydrophobicContact CG2-CG 4.33Å
310S97.4Very high94.2Very high11 Ų1149.7 Ų49.78%0.07725%0.246CC..Hα-helixtrans-65.9-39178.2-59.10000113.1Y38 A306 Y307 V308 K313 K314 L372Y38-S310 WeakPolarHBondContact CE1-OG 3.42Å; A306-S310 VanDerWaalsContact O-CB 3.25Å; A306-S310 WeakPolarHBondContact O-CB 3.43Å; A306-S310 PolarHBondContact O-N 3.35Å; A306-S310 PolarHBondContact O-OG 3.15Å; Y307-S310 PolarHBondContact O-N 2.88Å; V308-S310 VanDerWaalsContact C-N 3.33Å; V308-S310 PolarHBondContact O-N 2.87Å; S310-K313 PolarHBondContact O-N 3.02Å; S310-K314 WeakPolarHBondContact O-CB 3.1Å; S310-K314 PolarHBondContact O-N 2.74Å; S310-L372 VanDerWaalsContact OG-CA 3.31Å; S310-L372 WeakPolarHBondContact OG-CA 3.4Å; S310-L372 WeakPolarHBondContact OG-CD1 3.4Å; S310-L372 PolarHBondContact OG-N 3.39Å
311Y97.4Very high93.7Very high56 Ų5645.9 Ų45.922%0.2225%0.245CC..Hα-helixtrans-65.7-47.8177.3-177.9-83.8000110.6Y307 V308 K313 K314 E315 V336 T339 I340Y307-Y311 VanDerWaalsContact O-CB 3.25Å; Y307-Y311 WeakPolarHBondContact O-CB 3.34Å; Y307-Y311 PolarHBondContact O-N 2.73Å; V308-Y311 PolarHBondContact O-N 2.83Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 3.39Å; Y311-K314 WeakPolarHBondContact O-CB 3.4Å; Y311-K314 PolarHBondContact O-N 3.17Å; Y311-E315 HydrophobicContact CD1-CG 3.98Å; Y311-E315 HydrophobicContact CE1-CG 3.52Å; Y311-E315 PolarHBondContact O-N 2.94Å; Y311-V336 HydrophobicContact CD1-CB 4.45Å; Y311-V336 HydrophobicContact CD1-CG1 3.42Å; Y311-V336 VanDerWaalsContact CD1-CG1 3.42Å; Y311-V336 HydrophobicContact CD1-CG2 4.38Å; Y311-V336 HydrophobicContact CE1-CB 4.25Å; Y311-V336 HydrophobicContact CE1-CG1 3.67Å; Y311-V336 HydrophobicContact CE1-CG2 3.9Å; Y311-V336 HydrophobicContact CG-CG1 4.19Å; Y311-T339 HydrophobicContact CE2-CG2 4.07Å; Y311-I340 HydrophobicContact CD2-CG1 4.21Å; Y311-I340 HydrophobicContact CG-CD1 4.17Å; Y311-I340 HydrophobicContact CG-CG1 4.26Å
312L97.1Very high93.3Very high0 Ų046.3 Ų46.30%024%0.244CC..Hα-helixtrans-58.1-42.1177-67.4176000111.2V308 I309 K314 E315 M316 L329 L361 F366 F369V308-L312 HydrophobicContact CG1-CD1 4Å; V308-L312 HydrophobicContact CG1-CG 4.42Å; V308-L312 VanDerWaalsContact O-CG 3.29Å; V308-L312 WeakPolarHBondContact O-CG 3.49Å; V308-L312 PolarHBondContact O-N 3.05Å; I309-L312 PolarHBondContact O-N 2.81Å; L312-K314 PolarHBondContact O-N 3.27Å; L312-E315 PolarHBondContact O-N 3.5Å; L312-M316 WeakPolarHBondContact O-CG 3.29Å; L312-M316 PolarHBondContact O-N 2.9Å; L312-L329 HydrophobicContact CD2-CB 3.91Å; L312-L329 HydrophobicContact CD2-CD1 4.11Å; L312-L329 HydrophobicContact CD2-CD2 4.32Å; L312-L329 HydrophobicContact CD2-CG 4.34Å; L312-L361 HydrophobicContact CD1-CD1 3.73Å; L312-L361 HydrophobicContact CD1-CD2 3.56Å; L312-L361 HydrophobicContact CD1-CG 4.33Å; L312-F366 HydrophobicContact CB-CD2 4Å; L312-F366 HydrophobicContact CB-CE2 4.23Å; L312-F366 HydrophobicContact CD1-CE2 4.12Å; L312-F366 HydrophobicContact CD1-CZ 4.16Å; L312-F366 HydrophobicContact CD2-CE2 4.02Å; L312-F366 HydrophobicContact CG-CE2 4.36Å; L312-F369 HydrophobicContact CB-CD2 4.37Å; L312-F369 HydrophobicContact CB-CE2 4.49Å; L312-F369 HydrophobicContact CD1-CE2 4.37Å
313K95.8Very high93Very high71 Ų7152.1 Ų52.131%0.30928%0.275SS..Hα-helixtrans-58.1-45.4173.3176.156.9179.8170.30112.5I309 S310 Y311 E315 M316 F366 R367 F369I309-K313 PolarHBondContact O-N 2.91Å; S310-K313 PolarHBondContact O-N 3.02Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 3.39Å; K313-E315 VanDerWaalsContact C-N 3.33Å; K313-E315 PolarHBondContact O-N 3.2Å; K313-M316 PolarHBondContact O-N 2.76Å; K313-F366 VanDerWaalsContact CD-O 3.25Å; K313-F366 WeakPolarHBondContact CD-O 3.16Å; K313-R367 PolarHBondContact NZ-O 2.96Å; K313-F369 HydrophobicContact CB-CB 3.89Å; K313-F369 HydrophobicContact CD-CB 4.41Å; K313-F369 WeakPolarHBondContact CD-O 3.2Å; K313-F369 WeakPolarHBondContact CE-O 3.18Å; K313-F369 HydrophobicContact CG-CB 4.43Å; K313-F369 WeakPolarHBondContact CG-O 3.49Å
314K95.2Very high92.8Very high163 Ų16353.6 Ų53.671%0.70930%0.295SS*.Hα-helixtrans-63.7-36.9-177.6-176.8-175.2174.4-172.20112.4S310 Y311 L312 M316S310-K314 WeakPolarHBondContact O-CB 3.1Å; S310-K314 PolarHBondContact O-N 2.74Å; Y311-K314 WeakPolarHBondContact O-CB 3.4Å; Y311-K314 PolarHBondContact O-N 3.17Å; L312-K314 PolarHBondContact O-N 3.27Å; K314-M316 VanDerWaalsContact C-N 3.3Å; K314-M316 PolarHBondContact O-N 2.89Å
315E95.1Very high92.7Very high63 Ų6355.8 Ų55.829%0.29430%0.304SS..Hα-helixtrans-79.8-8.1-178.5-67.3-58.6124.200114Y311 L312 K313 L329Y311-E315 HydrophobicContact CD1-CG 3.98Å; Y311-E315 HydrophobicContact CE1-CG 3.52Å; Y311-E315 PolarHBondContact O-N 2.94Å; L312-E315 PolarHBondContact O-N 3.5Å; K313-E315 VanDerWaalsContact C-N 3.33Å; K313-E315 PolarHBondContact O-N 3.2Å; E315-L329 HydrophobicContact CB-CD1 3.88Å; E315-L329 HydrophobicContact CB-CD2 3.97Å; E315-L329 HydrophobicContact CG-CD2 4.26Å
316M93.9Very high92.5Very high22 Ų2257.6 Ų57.611%0.10831%0.312CS..SBendtrans-76.2130.4-179.8-74.7-63.7-64.800112.5L312 K313 K314 K322 K326 L329 F366 R367L312-M316 WeakPolarHBondContact O-CG 3.29Å; L312-M316 PolarHBondContact O-N 2.9Å; K313-M316 PolarHBondContact O-N 2.76Å; K314-M316 VanDerWaalsContact C-N 3.3Å; K314-M316 PolarHBondContact O-N 2.89Å; M316-K322 HydrophobicContact CE-CB 4.15Å; M316-K322 HydrophobicContact CE-CG 4.47Å; M316-K326 HydrophobicContact CE-CB 4.49Å; M316-K326 HydrophobicContact SD-CB 4.36Å; M316-L329 HydrophobicContact SD-CD1 4.3Å; M316-F366 HydrophobicContact CE-CB 4.35Å; M316-F366 HydrophobicContact CG-CB 3.54Å; M316-F366 HydrophobicContact CG-CD2 4.22Å; M316-F366 HydrophobicContact CG-CG 4.42Å; M316-F366 HydrophobicContact SD-CB 3.88Å; M316-F366 HydrophobicContact SD-CD2 3.86Å; M316-F366 HydrophobicContact SD-CG 4.31Å; M316-R367 HydrophobicContact CE-CG 4.35Å
317P89.6Confident92.4Very high41 Ų4164.4 Ų64.427%0.26634%0.341SS..  trans-73.1144.8177.530.1-34.7000111.4V320 K322 K325P317-V320 WeakPolarHBondContact CB-O 3.15Å; P317-V320 WeakPolarHBondContact CG-O 3.43Å; P317-K322 HydrophobicContact CG-CG 4.07Å; P317-K322 WeakPolarHBondContact O-CE 3.44Å; P317-K325 HydrophobicContact CG-CB 4.22Å
318T83.8Confident92.3Very high127 Ų12767.5 Ų67.578%0.77936%0.357SS*.SBendtrans-72.2-35.2-178.645.40000113K322T318-K322 WeakPolarHBondContact O-CE 3.36Å; T318-K322 PolarHBondContact O-NZ 2.9Å
319I79.2Confident92.3Very high131 Ų13167.8 Ų67.867%0.67236%0.358SS*.SBendtrans-119-67.5-168.9-52178.1000112.5K322I319-K322 VanDerWaalsContact O-CE 3.31Å; I319-K322 WeakPolarHBondContact O-CE 3.42Å; I319-K322 PolarHBondContact O-NZ 3.46Å
320V82.4Confident92.2Very high123 Ų12368.2 Ų68.275%0.74536%0.36SS*.SBendtrans-113.1148-169.4-175.90000111.8P317P317-V320 WeakPolarHBondContact CB-O 3.15Å; P317-V320 WeakPolarHBondContact CG-O 3.43Å
321G83.9Confident92.2Very high40 Ų4073.2 Ų73.241%0.41239%0.387SS..  trans8418.2170.900000115.8A324 K325G321-A324 PolarHBondContact O-N 3.07Å; G321-K325 WeakPolarHBondContact O-CB 3.22Å; G321-K325 PolarHBondContact O-N 3.06Å
322K87.8Confident92.2Very high54 Ų5473 Ų7324%0.23539%0.389CS..Hα-helixtrans-60.6-52-173-69161.4175.1149.50113.6M316 P317 T318 I319 A324 K325 K326M316-K322 HydrophobicContact CE-CB 4.15Å; M316-K322 HydrophobicContact CE-CG 4.47Å; P317-K322 HydrophobicContact CG-CG 4.07Å; P317-K322 WeakPolarHBondContact O-CE 3.44Å; T318-K322 WeakPolarHBondContact O-CE 3.36Å; T318-K322 PolarHBondContact O-NZ 2.9Å; I319-K322 VanDerWaalsContact O-CE 3.31Å; I319-K322 WeakPolarHBondContact O-CE 3.42Å; I319-K322 PolarHBondContact O-NZ 3.46Å; K322-A324 VanDerWaalsContact C-N 3.32Å; K322-A324 PolarHBondContact O-N 3.44Å; K322-K325 PolarHBondContact O-N 3.38Å; K322-K326 WeakPolarHBondContact O-CB 3.39Å; K322-K326 PolarHBondContact O-N 3.43Å
323D90.6Very high92.2Very high125 Ų12573 Ų7367%0.66839%0.389SS*.Hα-helixtrans-67.7-37-177.2-57.7-49.6000111.5K327D323-K327 WeakPolarHBondContact O-CB 3.45Å; D323-K327 WeakPolarHBondContact O-CG 3.36Å; D323-K327 PolarHBondContact O-N 3.28Å
324A93.2Very high92.2Very high69 Ų6972 Ų7257%0.5739%0.391SS*.Hα-helixtrans-62.8-47.2173.500000111.1G321 K322 K327 E328G321-A324 PolarHBondContact O-N 3.07Å; K322-A324 VanDerWaalsContact C-N 3.32Å; K322-A324 PolarHBondContact O-N 3.44Å; A324-K327 PolarHBondContact O-N 3.5Å; A324-E328 WeakPolarHBondContact O-CB 3.38Å; A324-E328 PolarHBondContact O-N 2.93Å
325K94.4Very high92.3Very high46 Ų4670.2 Ų70.220%0.238%0.383CS..Hα-helixtrans-66.8-39.7179.2-170.858.5172.3-178.20112.6P317 G321 K322 E328 L329P317-K325 HydrophobicContact CG-CB 4.22Å; G321-K325 WeakPolarHBondContact O-CB 3.22Å; G321-K325 PolarHBondContact O-N 3.06Å; K322-K325 PolarHBondContact O-N 3.38Å; K325-E328 WeakPolarHBondContact CD-OE2 3.43Å; K325-E328 IonicContact NZ-OE1 3.29Å; K325-E328 PolarHBondContact NZ-OE1 2.87Å; K325-E328 IonicContact NZ-OE2 3.98Å; K325-E328 PolarHBondContact NZ-OE2 3.41Å; K325-E328 WeakPolarHBondContact O-CB 3.42Å; K325-E328 PolarHBondContact O-N 3.41Å; K325-L329 HydrophobicContact CD-CG 4.4Å; K325-L329 HydrophobicContact CG-CD1 4.17Å; K325-L329 HydrophobicContact CG-CG 4.41Å; K325-L329 WeakPolarHBondContact O-CB 3.27Å; K325-L329 VanDerWaalsContact O-CG 3.31Å; K325-L329 WeakPolarHBondContact O-CG 3.46Å; K325-L329 PolarHBondContact O-N 3.48Å
326K94.4Very high92.4Very high39 Ų3967.5 Ų67.517%0.1737%0.371CS..Hα-helixtrans-57.6-50.8173.5176.4178.1169.3-178.80110.8M316 K322 E328 L329 I330 E362 H364 F366M316-K326 HydrophobicContact CE-CB 4.49Å; M316-K326 HydrophobicContact SD-CB 4.36Å; K322-K326 WeakPolarHBondContact O-CB 3.39Å; K322-K326 PolarHBondContact O-N 3.43Å; K326-E328 VanDerWaalsContact C-N 3.33Å; K326-E328 PolarHBondContact O-N 3.17Å; K326-L329 PolarHBondContact O-N 3.5Å; K326-I330 HydrophobicContact CG-CD1 3.94Å; K326-I330 WeakPolarHBondContact O-CG1 3.49Å; K326-I330 PolarHBondContact O-N 3.24Å; K326-E362 PolarHBondContact NZ-O 3.06Å; K326-H364 WeakPolarHBondContact CE-O 3.39Å; K326-H364 PolarHBondContact NZ-O 3.1Å; K326-F366 HydrophobicContact CD-CE1 4.47Å; K326-F366 HydrophobicContact CG-CD2 4.23Å; K326-F366 HydrophobicContact CG-CE1 4.32Å; K326-F366 HydrophobicContact CG-CE2 3.95Å; K326-F366 HydrophobicContact CG-CZ 4Å
327K95.4Very high92.6Very high143 Ų14366.7 Ų66.762%0.62237%0.367SS*.Hα-helixtrans-60.2-42177.1-73.8-179.8178.4-1750112.1D323 A324 I330 N331D323-K327 WeakPolarHBondContact O-CB 3.45Å; D323-K327 WeakPolarHBondContact O-CG 3.36Å; D323-K327 PolarHBondContact O-N 3.28Å; A324-K327 PolarHBondContact O-N 3.5Å; K327-I330 PolarHBondContact O-N 2.97Å; K327-N331 WeakPolarHBondContact O-CB 3.13Å; K327-N331 PolarHBondContact O-N 3.35Å; K327-N331 PolarHBondContact O-ND2 3.3Å
328E96.4Very high93Very high93 Ų9368.1 Ų68.144%0.43537%0.372SS..Hα-helixtrans-59.7-46.4176.4-174.8-156.1134.300112.1A324 K325 K326 N331 N332A324-E328 WeakPolarHBondContact O-CB 3.38Å; A324-E328 PolarHBondContact O-N 2.93Å; K325-E328 WeakPolarHBondContact CD-OE2 3.43Å; K325-E328 IonicContact NZ-OE1 3.29Å; K325-E328 PolarHBondContact NZ-OE1 2.87Å; K325-E328 IonicContact NZ-OE2 3.98Å; K325-E328 PolarHBondContact NZ-OE2 3.41Å; K325-E328 WeakPolarHBondContact O-CB 3.42Å; K325-E328 PolarHBondContact O-N 3.41Å; K326-E328 VanDerWaalsContact C-N 3.33Å; K326-E328 PolarHBondContact O-N 3.17Å; E328-N331 PolarHBondContact O-N 3.41Å; E328-N332 WeakPolarHBondContact O-CB 3.42Å; E328-N332 PolarHBondContact O-N 2.86Å; E328-N332 PolarHBondContact O-ND2 3.22Å
329L96.3Very high93.6Very high7 Ų764.8 Ų64.84%0.03735%0.352CS..Hα-helixtrans-66-42.5179.9-72.7170000112.1L312 E315 M316 K325 K326 N332 L333 V336 F366L312-L329 HydrophobicContact CD2-CB 3.91Å; L312-L329 HydrophobicContact CD2-CD1 4.11Å; L312-L329 HydrophobicContact CD2-CD2 4.32Å; L312-L329 HydrophobicContact CD2-CG 4.34Å; E315-L329 HydrophobicContact CB-CD1 3.88Å; E315-L329 HydrophobicContact CB-CD2 3.97Å; E315-L329 HydrophobicContact CG-CD2 4.26Å; M316-L329 HydrophobicContact SD-CD1 4.3Å; K325-L329 HydrophobicContact CD-CG 4.4Å; K325-L329 HydrophobicContact CG-CD1 4.17Å; K325-L329 HydrophobicContact CG-CG 4.41Å; K325-L329 WeakPolarHBondContact O-CB 3.27Å; K325-L329 VanDerWaalsContact O-CG 3.31Å; K325-L329 WeakPolarHBondContact O-CG 3.46Å; K325-L329 PolarHBondContact O-N 3.48Å; K326-L329 PolarHBondContact O-N 3.5Å; L329-N332 CarbonylContact O-C 3.45Å; L329-N332 PolarHBondContact O-N 2.95Å; L329-L333 PolarHBondContact O-N 3.13Å; L329-L333 VanDerWaalsContact O-N 3.1Å; L329-V336 HydrophobicContact CD2-CG2 4.24Å; L329-F366 HydrophobicContact CB-CE2 4.27Å; L329-F366 HydrophobicContact CD1-CD2 4.25Å; L329-F366 HydrophobicContact CD1-CE2 4.3Å
330I97Very high94.5Very high8 Ų858.8 Ų58.84%0.04132%0.321CS..Hα-helixtrans-61.7-50.8175.6-67.8173.2000109.5K326 K327 N332 L333 Q358 L361 E362 F366K326-I330 HydrophobicContact CG-CD1 3.94Å; K326-I330 WeakPolarHBondContact O-CG1 3.49Å; K326-I330 PolarHBondContact O-N 3.24Å; K327-I330 PolarHBondContact O-N 2.97Å; I330-N332 PolarHBondContact O-N 3.34Å; I330-L333 WeakPolarHBondContact O-CB 3.5Å; I330-L333 PolarHBondContact O-N 3.09Å; I330-Q358 HydrophobicContact CG2-CB 3.86Å; I330-Q358 HydrophobicContact CG2-CG 3.89Å; I330-Q358 WeakPolarHBondContact O-CG 3.33Å; I330-Q358 PolarHBondContact O-NE2 2.89Å; I330-L361 HydrophobicContact CD1-CB 4.15Å; I330-L361 HydrophobicContact CG1-CB 4.09Å; I330-E362 HydrophobicContact CD1-CG 4.08Å; I330-F366 HydrophobicContact CD1-CZ 3.94Å; I330-F366 HydrophobicContact CG1-CE2 4.32Å; I330-F366 HydrophobicContact CG1-CZ 3.74Å
331N97.1Very high95.2Very high117 Ų11754 Ų5463%0.62629%0.294SS*.Hα-helixtrans-63.9-28.2-178.9-70.4-12000113.5K327 E328K327-N331 WeakPolarHBondContact O-CB 3.13Å; K327-N331 PolarHBondContact O-N 3.35Å; K327-N331 PolarHBondContact O-ND2 3.3Å; E328-N331 PolarHBondContact O-N 3.41Å
332N96.9Very high95.7Very high51 Ų5161.3 Ų61.327%0.27331%0.309SS..THydrogen-bonded Turntrans-106.126.2179.3-67.7-77.8000113.1E328 L329 I330 S334 K335 V336E328-N332 WeakPolarHBondContact O-CB 3.42Å; E328-N332 PolarHBondContact O-N 2.86Å; E328-N332 PolarHBondContact O-ND2 3.22Å; L329-N332 CarbonylContact O-C 3.45Å; L329-N332 PolarHBondContact O-N 2.95Å; I330-N332 PolarHBondContact O-N 3.34Å; N332-S334 PolarHBondContact O-N 2.83Å; N332-S334 VanDerWaalsContact O-N 3.15Å; N332-K335 HydrophobicContact CB-CD 4.28Å; N332-K335 WeakPolarHBondContact O-CB 3.18Å; N332-K335 PolarHBondContact O-N 2.74Å; N332-K335 PolarHBondContact OD1-NZ 3.39Å; N332-V336 PolarHBondContact O-N 3.36Å
333L97.4Very high96.1Very high0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-58-31.9-175.7-172.163.6000113.2V308 L329 I330 K335 V336 Y337 I354 M357 Q358 L361V308-L333 HydrophobicContact CG1-CD1 4.49Å; L329-L333 PolarHBondContact O-N 3.13Å; L329-L333 VanDerWaalsContact O-N 3.1Å; I330-L333 WeakPolarHBondContact O-CB 3.5Å; I330-L333 PolarHBondContact O-N 3.09Å; L333-K335 PolarHBondContact O-N 2.91Å; L333-V336 HydrophobicContact CD1-CB 4.3Å; L333-V336 HydrophobicContact CD1-CG1 4.45Å; L333-V336 WeakPolarHBondContact O-CB 3.36Å; L333-V336 PolarHBondContact O-N 3.31Å; L333-V336 VanDerWaalsContact O-N 3.17Å; L333-Y337 HydrophobicContact CD1-CD1 4.15Å; L333-Y337 HydrophobicContact CD1-CE1 3.61Å; L333-Y337 HydrophobicContact CD2-CE1 4.17Å; L333-Y337 HydrophobicContact CG-CD1 4.21Å; L333-Y337 HydrophobicContact CG-CE1 3.68Å; L333-Y337 HydrophobicContact CG-CE2 4.47Å; L333-Y337 WeakPolarHBondContact O-CD1 3.33Å; L333-Y337 PolarHBondContact O-N 3.29Å; L333-I354 HydrophobicContact CB-CG2 4.43Å; L333-I354 HydrophobicContact CD2-CG2 4.44Å; L333-M357 HydrophobicContact CD2-CB 3.75Å; L333-M357 HydrophobicContact CD2-CG 3.75Å; L333-Q358 HydrophobicContact CB-CG 4.16Å; L333-Q358 HydrophobicContact CD2-CG 3.79Å; L333-L361 HydrophobicContact CD1-CD1 4.11Å; L333-L361 HydrophobicContact CD2-CD1 4.08Å
334S96.8Very high96.3Very high51 Ų5160.3 Ų60.336%0.35731%0.306SS..Hα-helixtrans-56.6-45.6172.855.10000112.7N332 V336 Y337 D338N332-S334 PolarHBondContact O-N 2.83Å; N332-S334 VanDerWaalsContact O-N 3.15Å; S334-V336 VanDerWaalsContact C-N 3.31Å; S334-V336 PolarHBondContact O-N 3.19Å; S334-Y337 WeakPolarHBondContact O-CB 3.22Å; S334-Y337 PolarHBondContact O-N 3.32Å; S334-D338 PolarHBondContact O-N 2.98Å
335K96.8Very high96.3Very high124 Ų12465.3 Ų65.354%0.53932%0.318SS..Hα-helixtrans-67.7-33.5177.4-63.5176.9-175.8157.30112N332 L333 Y337 D338 T339N332-K335 HydrophobicContact CB-CD 4.28Å; N332-K335 WeakPolarHBondContact O-CB 3.18Å; N332-K335 PolarHBondContact O-N 2.74Å; N332-K335 PolarHBondContact OD1-NZ 3.39Å; L333-K335 PolarHBondContact O-N 2.91Å; K335-Y337 VanDerWaalsContact C-N 3.34Å; K335-D338 PolarHBondContact O-N 3.44Å; K335-T339 WeakPolarHBondContact O-CB 3.48Å; K335-T339 PolarHBondContact O-N 3.15Å; K335-T339 PolarHBondContact O-OG1 3.23Å
336V97.1Very high96.2Very high7 Ų763.9 Ų63.94%0.04231%0.312CS..Hα-helixtrans-61.7-46.4172.8173.50000109.5Y311 L329 N332 L333 S334 T339 I340Y311-V336 HydrophobicContact CD1-CB 4.45Å; Y311-V336 HydrophobicContact CD1-CG1 3.42Å; Y311-V336 VanDerWaalsContact CD1-CG1 3.42Å; Y311-V336 HydrophobicContact CD1-CG2 4.38Å; Y311-V336 HydrophobicContact CE1-CB 4.25Å; Y311-V336 HydrophobicContact CE1-CG1 3.67Å; Y311-V336 HydrophobicContact CE1-CG2 3.9Å; Y311-V336 HydrophobicContact CG-CG1 4.19Å; L329-V336 HydrophobicContact CD2-CG2 4.24Å; N332-V336 PolarHBondContact O-N 3.36Å; L333-V336 HydrophobicContact CD1-CB 4.3Å; L333-V336 HydrophobicContact CD1-CG1 4.45Å; L333-V336 WeakPolarHBondContact O-CB 3.36Å; L333-V336 PolarHBondContact O-N 3.31Å; L333-V336 VanDerWaalsContact O-N 3.17Å; S334-V336 VanDerWaalsContact C-N 3.31Å; S334-V336 PolarHBondContact O-N 3.19Å; V336-T339 PolarHBondContact O-N 2.63Å; V336-I340 HydrophobicContact CG1-CD1 3.79Å; V336-I340 WeakPolarHBondContact O-CG1 3.13Å; V336-I340 PolarHBondContact O-N 2.71Å
337Y97.8Very high96.2Very high4 Ų465.6 Ų65.62%0.01633%0.329CS..Hα-helixtrans-62.6-45.2176.7-69.61.5000112.1V308 L333 S334 K335 T339 I340 S341 F351 P352 I354 M357V308-Y337 HydrophobicContact CB-CE1 4.48Å; V308-Y337 HydrophobicContact CG1-CE1 3.98Å; V308-Y337 HydrophobicContact CG2-CD1 3.98Å; V308-Y337 HydrophobicContact CG2-CE1 3.59Å; L333-Y337 HydrophobicContact CD1-CD1 4.15Å; L333-Y337 HydrophobicContact CD1-CE1 3.61Å; L333-Y337 HydrophobicContact CD2-CE1 4.17Å; L333-Y337 HydrophobicContact CG-CD1 4.21Å; L333-Y337 HydrophobicContact CG-CE1 3.68Å; L333-Y337 HydrophobicContact CG-CE2 4.47Å; L333-Y337 WeakPolarHBondContact O-CD1 3.33Å; L333-Y337 PolarHBondContact O-N 3.29Å; S334-Y337 WeakPolarHBondContact O-CB 3.22Å; S334-Y337 PolarHBondContact O-N 3.32Å; K335-Y337 VanDerWaalsContact C-N 3.34Å; Y337-T339 VanDerWaalsContact C-N 3.26Å; Y337-T339 PolarHBondContact O-N 3.47Å; Y337-I340 PolarHBondContact O-N 3.4Å; Y337-S341 VanDerWaalsContact O-CB 3.23Å; Y337-S341 WeakPolarHBondContact O-CB 3.42Å; Y337-S341 PolarHBondContact O-N 2.91Å; Y337-F351 AromaticContact CD1-CD1 3.55Å; Y337-F351 HydrophobicContact CD1-CD1 3.55Å; Y337-F351 AromaticContact CD1-CE1 3.99Å; Y337-F351 HydrophobicContact CD1-CE1 3.99Å; Y337-F351 HydrophobicContact CD2-CB 3.7Å; Y337-F351 AromaticContact CD2-CD1 3.76Å; Y337-F351 HydrophobicContact CD2-CD1 3.76Å; Y337-F351 HydrophobicContact CD2-CG 4Å; Y337-F351 HydrophobicContact CE1-CD1 4.01Å; Y337-F351 HydrophobicContact CE2-CB 3.86Å; Y337-F351 HydrophobicContact CE2-CD1 4.21Å; Y337-F351 HydrophobicContact CE2-CG 4.48Å; Y337-F351 HydrophobicContact CG-CB 4.26Å; Y337-F351 AromaticContact CG-CD1 3.41Å; Y337-F351 HydrophobicContact CG-CD1 3.41Å; Y337-F351 VanDerWaalsContact CG-CD1 3.41Å; Y337-F351 HydrophobicContact CG-CE1 4.02Å; Y337-F351 HydrophobicContact CG-CG 4.05Å; Y337-P352 VanDerWaalsContact CE2-O 3.32Å; Y337-P352 WeakPolarHBondContact CE2-O 3.49Å; Y337-P352 WeakPolarHBondContact OH-CG 2.9Å; Y337-I354 HydrophobicContact CD2-CD1 4.46Å; Y337-I354 HydrophobicContact CD2-CG1 3.92Å; Y337-I354 HydrophobicContact CE2-CG1 3.67Å; Y337-M357 WeakPolarHBondContact OH-CB 3.47Å; Y337-M357 VanDerWaalsContact OH-CG 3.27Å; Y337-M357 WeakPolarHBondContact OH-CG 3.29Å
338D97.3Very high95.9Very high71 Ų7163 Ų6338%0.3832%0.321SS..Hα-helixtrans-57.4-41.2176-71.5-30.2000112S334 K335 R342S334-D338 PolarHBondContact O-N 2.98Å; K335-D338 PolarHBondContact O-N 3.44Å; D338-R342 WeakPolarHBondContact O-CB 3.46Å; D338-R342 VanDerWaalsContact O-CG 3.28Å; D338-R342 WeakPolarHBondContact O-CG 3.49Å; D338-R342 PolarHBondContact O-N 3.12Å
339T97.4Very high95.5Very high58 Ų5861.6 Ų61.636%0.35633%0.331SS..Hα-helixtrans-65.8-45.8178.5-57.70000111.1Y311 K335 V336 Y337 T343Y311-T339 HydrophobicContact CE2-CG2 4.07Å; K335-T339 WeakPolarHBondContact O-CB 3.48Å; K335-T339 PolarHBondContact O-N 3.15Å; K335-T339 PolarHBondContact O-OG1 3.23Å; V336-T339 PolarHBondContact O-N 2.63Å; Y337-T339 VanDerWaalsContact C-N 3.26Å; Y337-T339 PolarHBondContact O-N 3.47Å; T339-T343 HydrophobicContact CG2-CG2 4.46Å; T339-T343 WeakPolarHBondContact O-CB 3.44Å; T339-T343 VanDerWaalsContact O-CG2 3.26Å; T339-T343 WeakPolarHBondContact O-CG2 3.38Å; T339-T343 PolarHBondContact O-N 3.44Å; T339-T343 PolarHBondContact O-OG1 2.94Å
340I97.2Very high95.2Very high4 Ų463.9 Ų63.92%0.02134%0.344CS..Hα-helixtrans-66.6-44.6178.2-63.7167000110.4Y307 V308 Y311 V336 Y337 R342 T343 Q344 F351Y307-I340 HydrophobicContact CG-CG2 4.33Å; V308-I340 HydrophobicContact CB-CD1 4.34Å; V308-I340 HydrophobicContact CG2-CD1 3.84Å; Y311-I340 HydrophobicContact CD2-CG1 4.21Å; Y311-I340 HydrophobicContact CG-CD1 4.17Å; Y311-I340 HydrophobicContact CG-CG1 4.26Å; V336-I340 HydrophobicContact CG1-CD1 3.79Å; V336-I340 WeakPolarHBondContact O-CG1 3.13Å; V336-I340 PolarHBondContact O-N 2.71Å; Y337-I340 PolarHBondContact O-N 3.4Å; I340-R342 VanDerWaalsContact C-N 3.33Å; I340-R342 PolarHBondContact O-N 3.48Å; I340-T343 WeakPolarHBondContact CA-OG1 3.26Å; I340-T343 PolarHBondContact O-N 3.1Å; I340-T343 PolarHBondContact O-OG1 3.32Å; I340-Q344 HydrophobicContact CG2-CG 3.97Å; I340-Q344 WeakPolarHBondContact O-CB 3.27Å; I340-Q344 WeakPolarHBondContact O-CG 3.44Å; I340-Q344 PolarHBondContact O-N 3.33Å; I340-F351 HydrophobicContact CB-CE1 3.91Å; I340-F351 HydrophobicContact CB-CZ 3.9Å; I340-F351 HydrophobicContact CD1-CE1 4.48Å; I340-F351 HydrophobicContact CG2-CE1 3.86Å; I340-F351 HydrophobicContact CG2-CZ 3.69Å
341S96.9Very high95.1Very high24 Ų2464.5 Ų64.517%0.16835%0.346CS..Hα-helixtrans-54.6-48.5177.51710000111.2Y337 H345 I346Y337-S341 VanDerWaalsContact O-CB 3.23Å; Y337-S341 WeakPolarHBondContact O-CB 3.42Å; Y337-S341 PolarHBondContact O-N 2.91Å; S341-H345 VanDerWaalsContact O-CA 3.25Å; S341-H345 WeakPolarHBondContact O-CA 3.27Å; S341-H345 PolarHBondContact O-N 3.49Å; S341-I346 WeakPolarHBondContact CA-O 3.29Å; S341-I346 WeakPolarHBondContact CB-O 3.32Å; S341-I346 PolarHBondContact O-N 2.83Å; S341-I346 PolarHBondContact OG-O 3.43Å
342R96.3Very high94.9Very high193 Ų19359.8 Ų59.873%0.72832%0.322SS*.Hα-helixtrans-67.1-44.7177.8-70.8175.9-171.7-174.73.7113D338 I340D338-R342 WeakPolarHBondContact O-CB 3.46Å; D338-R342 VanDerWaalsContact O-CG 3.28Å; D338-R342 WeakPolarHBondContact O-CG 3.49Å; D338-R342 PolarHBondContact O-N 3.12Å; I340-R342 VanDerWaalsContact C-N 3.33Å; I340-R342 PolarHBondContact O-N 3.48Å
343T96Very high94.6Very high81 Ų8161.7 Ų61.750%0.49733%0.332SS..Hα-helixtrans-77-30.1-173.854.40000113.5T339 I340T339-T343 HydrophobicContact CG2-CG2 4.46Å; T339-T343 WeakPolarHBondContact O-CB 3.44Å; T339-T343 VanDerWaalsContact O-CG2 3.26Å; T339-T343 WeakPolarHBondContact O-CG2 3.38Å; T339-T343 PolarHBondContact O-N 3.44Å; T339-T343 PolarHBondContact O-OG1 2.94Å; I340-T343 WeakPolarHBondContact CA-OG1 3.26Å; I340-T343 PolarHBondContact O-N 3.1Å; I340-T343 PolarHBondContact O-OG1 3.32Å
344Q94.1Very high94.4Very high77 Ų7764.5 Ų64.536%0.3635%0.346SS..Hα-helixtrans-103.1-0.1-179.6-54.6-52-51.500112.9Y307 I340 I346Y307-Q344 HydrophobicContact CD1-CG 3.9Å; Y307-Q344 HydrophobicContact CD2-CG 4.35Å; Y307-Q344 HydrophobicContact CE1-CG 3.86Å; Y307-Q344 VanDerWaalsContact CE1-OE1 3.31Å; Y307-Q344 HydrophobicContact CE2-CB 4.43Å; Y307-Q344 HydrophobicContact CE2-CG 4.31Å; Y307-Q344 HydrophobicContact CG-CG 4.15Å; Y307-Q344 PolarHBondContact OH-OE1 3.09Å; I340-Q344 HydrophobicContact CG2-CG 3.97Å; I340-Q344 WeakPolarHBondContact O-CB 3.27Å; I340-Q344 WeakPolarHBondContact O-CG 3.44Å; I340-Q344 PolarHBondContact O-N 3.33Å; Q344-I346 VanDerWaalsContact C-N 3.32Å; Q344-I346 HydrophobicContact CB-CD1 3.67Å; Q344-I346 HydrophobicContact CB-CG1 3.78Å; Q344-I346 PolarHBondContact O-N 2.84Å
345H93.6Very high94.2Very high174 Ų17466.9 Ų66.981%0.80636%0.355SS*.THydrogen-bonded Turntrans5445.3-176-56.1-71.5000113.1S341S341-H345 VanDerWaalsContact O-CA 3.25Å; S341-H345 WeakPolarHBondContact O-CA 3.27Å; S341-H345 PolarHBondContact O-N 3.49Å
346I93.1Very high93.8Very high16 Ų1665.9 Ų65.98%0.08235%0.348CS..  trans-105.4136.4-179.5-59.7177000108.7V304 Y307 S341 Q344 I348 D350 F351V304-I346 HydrophobicContact CG2-CD1 4.11Å; V304-I346 HydrophobicContact CG2-CG2 3.65Å; Y307-I346 HydrophobicContact CD2-CD1 3.62Å; Y307-I346 HydrophobicContact CE2-CD1 3.64Å; S341-I346 WeakPolarHBondContact CA-O 3.29Å; S341-I346 WeakPolarHBondContact CB-O 3.32Å; S341-I346 PolarHBondContact O-N 2.83Å; S341-I346 PolarHBondContact OG-O 3.43Å; Q344-I346 VanDerWaalsContact C-N 3.32Å; Q344-I346 HydrophobicContact CB-CD1 3.67Å; Q344-I346 HydrophobicContact CB-CG1 3.78Å; Q344-I346 PolarHBondContact O-N 2.84Å; I346-I348 PolarHBondContact O-N 3.43Å; I346-D350 HydrophobicContact CG2-CB 4.03Å; I346-F351 HydrophobicContact CB-CE2 4.08Å; I346-F351 HydrophobicContact CB-CZ 4.5Å; I346-F351 HydrophobicContact CG2-CD2 4.39Å; I346-F351 HydrophobicContact CG2-CE2 3.73Å; I346-F351 HydrophobicContact CG2-CZ 4.41Å
347S92.8Very high93.8Very high75 Ų7565.7 Ų65.752%0.52435%0.347SS..  trans-60135.8172.9-1790000110.5G349 D350 F351S347-G349 PolarHBondContact O-N 2.66Å; S347-G349 VanDerWaalsContact O-N 3.13Å; S347-G349 PolarHBondContact OG-N 2.97Å; S347-D350 PolarHBondContact O-N 2.95Å; S347-F351 WeakPolarHBondContact O-CD2 3.31Å
348I90.7Very high93.7Very high88 Ų8867.5 Ų67.545%0.45136%0.355SS..G310 helixtrans-59.5-25.8176.1-161.763.2000112.2I346 D350 F351I346-I348 PolarHBondContact O-N 3.43Å; I348-D350 PolarHBondContact O-N 2.95Å; I348-F351 HydrophobicContact CD1-CD2 4.06Å; I348-F351 HydrophobicContact CD1-CE2 4.4Å; I348-F351 HydrophobicContact CD1-CG 4.35Å; I348-F351 WeakPolarHBondContact O-CB 3.38Å; I348-F351 PolarHBondContact O-N 3.26Å
349G87.5Confident93.5Very high63 Ų6370.3 Ų70.365%0.64937%0.366SS*.G310 helixtrans-68.8-16177.400000114.9S347 F351S347-G349 PolarHBondContact O-N 2.66Å; S347-G349 VanDerWaalsContact O-N 3.13Å; S347-G349 PolarHBondContact OG-N 2.97Å; G349-F351 VanDerWaalsContact C-N 3.29Å
350D89.7Confident93.4Very high56 Ų5669.1 Ų69.130%0.29936%0.36SS..G310 helixtrans-85.1-4.9175-65.9-40.8000112.4V304 I346 S347 I348V304-D350 HydrophobicContact CG2-CB 3.99Å; I346-D350 HydrophobicContact CG2-CB 4.03Å; S347-D350 PolarHBondContact O-N 2.95Å; I348-D350 PolarHBondContact O-N 2.95Å
351F94.8Very high93.3Very high20 Ų2069 Ų699%0.08836%0.359CS..SBendtrans-82.7146.1178.8-72.5-105.6000111.3V304 V308 Y337 I340 I346 S347 I348 G349V304-F351 HydrophobicContact CG1-CB 4.26Å; V304-F351 HydrophobicContact CG1-CD1 3.35Å; V304-F351 HydrophobicContact CG1-CD2 3.94Å; V304-F351 HydrophobicContact CG1-CE1 3.53Å; V304-F351 HydrophobicContact CG1-CE2 4.1Å; V304-F351 HydrophobicContact CG1-CG 3.59Å; V304-F351 HydrophobicContact CG1-CZ 3.91Å; V308-F351 HydrophobicContact CG2-CD1 4.15Å; V308-F351 HydrophobicContact CG2-CE1 4.14Å; Y337-F351 AromaticContact CD1-CD1 3.55Å; Y337-F351 HydrophobicContact CD1-CD1 3.55Å; Y337-F351 AromaticContact CD1-CE1 3.99Å; Y337-F351 HydrophobicContact CD1-CE1 3.99Å; Y337-F351 HydrophobicContact CD2-CB 3.7Å; Y337-F351 AromaticContact CD2-CD1 3.76Å; Y337-F351 HydrophobicContact CD2-CD1 3.76Å; Y337-F351 HydrophobicContact CD2-CG 4Å; Y337-F351 HydrophobicContact CE1-CD1 4.01Å; Y337-F351 HydrophobicContact CE2-CB 3.86Å; Y337-F351 HydrophobicContact CE2-CD1 4.21Å; Y337-F351 HydrophobicContact CE2-CG 4.48Å; Y337-F351 HydrophobicContact CG-CB 4.26Å; Y337-F351 AromaticContact CG-CD1 3.41Å; Y337-F351 HydrophobicContact CG-CD1 3.41Å; Y337-F351 VanDerWaalsContact CG-CD1 3.41Å; Y337-F351 HydrophobicContact CG-CE1 4.02Å; Y337-F351 HydrophobicContact CG-CG 4.05Å; I340-F351 HydrophobicContact CB-CE1 3.91Å; I340-F351 HydrophobicContact CB-CZ 3.9Å; I340-F351 HydrophobicContact CD1-CE1 4.48Å; I340-F351 HydrophobicContact CG2-CE1 3.86Å; I340-F351 HydrophobicContact CG2-CZ 3.69Å; I346-F351 HydrophobicContact CB-CE2 4.08Å; I346-F351 HydrophobicContact CB-CZ 4.5Å; I346-F351 HydrophobicContact CG2-CD2 4.39Å; I346-F351 HydrophobicContact CG2-CE2 3.73Å; I346-F351 HydrophobicContact CG2-CZ 4.41Å; S347-F351 WeakPolarHBondContact O-CD2 3.31Å; I348-F351 HydrophobicContact CD1-CD2 4.06Å; I348-F351 HydrophobicContact CD1-CE2 4.4Å; I348-F351 HydrophobicContact CD1-CG 4.35Å; I348-F351 WeakPolarHBondContact O-CB 3.38Å; I348-F351 PolarHBondContact O-N 3.26Å; G349-F351 VanDerWaalsContact C-N 3.29Å
352P92.6Very high93.2Very high18 Ų1873.7 Ų73.712%0.11738%0.379CS..PPolyproline II helixtrans-65.2163177.521.6-25.4000111.9L301 Y337 I354 M357L301-P352 HydrophobicContact CD1-CB 4.06Å; L301-P352 HydrophobicContact CD1-CG 4.31Å; Y337-P352 VanDerWaalsContact CE2-O 3.32Å; Y337-P352 WeakPolarHBondContact CE2-O 3.49Å; Y337-P352 WeakPolarHBondContact OH-CG 2.9Å; P352-I354 PolarHBondContact O-N 3.12Å; P352-M357 HydrophobicContact CG-SD 4.16Å
353N91.3Very high93.1Very high92 Ų9270.4 Ų70.449%0.49238%0.38SS..PPolyproline II helixtrans-58.5127.4175.5-179.6-85.4000110.9N355 R356 M357N353-N355 PolarHBondContact O-N 3.27Å; N353-N355 PolarHBondContact OD1-N 3.44Å; N353-N355 VanDerWaalsContact OD1-N 3.09Å; N353-R356 HydrophobicContact CB-CB 4.3Å; N353-R356 HydrophobicContact CB-CG 4.49Å; N353-R356 PolarHBondContact O-N 3.38Å; N353-R356 PolarHBondContact OD1-N 2.76Å; N353-R356 VanDerWaalsContact OD1-N 3.12Å; N353-M357 WeakPolarHBondContact O-CB 3.16Å; N353-M357 PolarHBondContact O-N 3.13Å
354I93.8Very high93Very high59 Ų5968.1 Ų68.130%0.30336%0.363SS..Hα-helixtrans-58.5-49.5-175-69.3168.1000111.5L333 Y337 P352 R356 M357 Q358L333-I354 HydrophobicContact CB-CG2 4.43Å; L333-I354 HydrophobicContact CD2-CG2 4.44Å; Y337-I354 HydrophobicContact CD2-CD1 4.46Å; Y337-I354 HydrophobicContact CD2-CG1 3.92Å; Y337-I354 HydrophobicContact CE2-CG1 3.67Å; P352-I354 PolarHBondContact O-N 3.12Å; I354-R356 PolarHBondContact O-N 2.89Å; I354-M357 PolarHBondContact O-N 2.9Å; I354-Q358 HydrophobicContact CG2-CG 4.22Å; I354-Q358 WeakPolarHBondContact O-CB 3.39Å; I354-Q358 VanDerWaalsContact O-CG 3.28Å; I354-Q358 WeakPolarHBondContact O-CG 3.5Å; I354-Q358 PolarHBondContact O-N 3.24Å
355N92Very high92.9Very high101 Ų10167 Ų6754%0.5436%0.36SS..Hα-helixtrans-63.4-48-174.2-61.7-13.2000110.8N353 M357 Q358 E359N353-N355 PolarHBondContact O-N 3.27Å; N353-N355 PolarHBondContact OD1-N 3.44Å; N353-N355 VanDerWaalsContact OD1-N 3.09Å; N355-M357 VanDerWaalsContact C-N 3.32Å; N355-M357 PolarHBondContact O-N 3.24Å; N355-Q358 WeakPolarHBondContact O-CB 3.18Å; N355-Q358 PolarHBondContact O-N 3.03Å; N355-E359 WeakPolarHBondContact O-CG 3.14Å; N355-E359 PolarHBondContact O-N 3.19Å
356R88.9Confident92.9Very high102 Ų10258.8 Ų58.839%0.38532%0.322SS..Hα-helixtrans-60.4-42.7176.2-73.7-177.4167.9-176.2-11.7112.1E174 N353 I354 Q358 E359 S360E174-R356 IonicContact OE1-CZ 3.99Å; E174-R356 IonicContact OE1-NH1 3.51Å; E174-R356 PolarHBondContact OE1-NH1 3.48Å; E174-R356 IonicContact OE1-NH2 2.86Å; E174-R356 PolarHBondContact OE1-NH2 3.43Å; E174-R356 IonicContact OE2-CZ 2.9Å; E174-R356 IonicContact OE2-NH2 3.58Å; E174-R356 PolarHBondContact OE2-NH2 3.4Å; N353-R356 HydrophobicContact CB-CB 4.3Å; N353-R356 HydrophobicContact CB-CG 4.49Å; N353-R356 PolarHBondContact O-N 3.38Å; N353-R356 PolarHBondContact OD1-N 2.76Å; N353-R356 VanDerWaalsContact OD1-N 3.12Å; I354-R356 PolarHBondContact O-N 2.89Å; R356-Q358 VanDerWaalsContact C-N 3.35Å; R356-E359 PolarHBondContact O-N 3.46Å; R356-S360 PolarHBondContact O-N 3.09Å; R356-S360 PolarHBondContact O-OG 2.72Å
357M95.4Very high92.7Very high4 Ų464 Ų642%0.0234%0.34CS..Hα-helixtrans-66.1-38.6178.1-169.779.2-169.900111.4F43 V308 I309 L333 Y337 P352 N353 I354 N355 S360 L361F43-M357 HydrophobicContact CD1-CE 3.55Å; F43-M357 HydrophobicContact CD1-SD 3.73Å; F43-M357 HydrophobicContact CE1-CE 3.73Å; F43-M357 HydrophobicContact CE1-SD 4.4Å; F43-M357 HydrophobicContact CG-CE 4.26Å; F43-M357 HydrophobicContact CG-SD 4.42Å; V308-M357 HydrophobicContact CG1-CE 4.01Å; I309-M357 HydrophobicContact CD1-CE 4.07Å; L333-M357 HydrophobicContact CD2-CB 3.75Å; L333-M357 HydrophobicContact CD2-CG 3.75Å; Y337-M357 WeakPolarHBondContact OH-CB 3.47Å; Y337-M357 VanDerWaalsContact OH-CG 3.27Å; Y337-M357 WeakPolarHBondContact OH-CG 3.29Å; P352-M357 HydrophobicContact CG-SD 4.16Å; N353-M357 WeakPolarHBondContact O-CB 3.16Å; N353-M357 PolarHBondContact O-N 3.13Å; I354-M357 PolarHBondContact O-N 2.9Å; N355-M357 VanDerWaalsContact C-N 3.32Å; N355-M357 PolarHBondContact O-N 3.24Å; M357-S360 PolarHBondContact O-N 2.85Å; M357-L361 HydrophobicContact CE-CD1 4.03Å; M357-L361 HydrophobicContact CE-CD2 3.86Å; M357-L361 HydrophobicContact CE-CG 3.89Å; M357-L361 HydrophobicContact CG-CD1 3.79Å; M357-L361 HydrophobicContact CG-CG 4.18Å; M357-L361 VanDerWaalsContact O-CB 3.24Å; M357-L361 WeakPolarHBondContact O-CB 3.45Å; M357-L361 WeakPolarHBondContact O-CD1 3.27Å; M357-L361 WeakPolarHBondContact O-CG 3.44Å; M357-L361 PolarHBondContact O-N 2.9Å
358Q96.8Very high92.7Very high41 Ų4164.1 Ų64.119%0.19234%0.338CS..Hα-helixtrans-59.8-51175.5-75.2173.3-39.100111.1I330 L333 I354 N355 R356 S360 L361 E362I330-Q358 HydrophobicContact CG2-CB 3.86Å; I330-Q358 HydrophobicContact CG2-CG 3.89Å; I330-Q358 WeakPolarHBondContact O-CG 3.33Å; I330-Q358 PolarHBondContact O-NE2 2.89Å; L333-Q358 HydrophobicContact CB-CG 4.16Å; L333-Q358 HydrophobicContact CD2-CG 3.79Å; I354-Q358 HydrophobicContact CG2-CG 4.22Å; I354-Q358 WeakPolarHBondContact O-CB 3.39Å; I354-Q358 VanDerWaalsContact O-CG 3.28Å; I354-Q358 WeakPolarHBondContact O-CG 3.5Å; I354-Q358 PolarHBondContact O-N 3.24Å; N355-Q358 WeakPolarHBondContact O-CB 3.18Å; N355-Q358 PolarHBondContact O-N 3.03Å; R356-Q358 VanDerWaalsContact C-N 3.35Å; Q358-S360 PolarHBondContact O-N 3.49Å; Q358-L361 PolarHBondContact O-N 3.29Å; Q358-L361 VanDerWaalsContact O-N 3.15Å; Q358-E362 WeakPolarHBondContact O-CG 3.01Å; Q358-E362 PolarHBondContact O-N 3.23Å; Q358-E362 VanDerWaalsContact O-N 3.12Å
359E93.7Very high93Very high131 Ų13160.1 Ų60.161%0.61232%0.318SS*.Hα-helixtrans-56.3-49.5177.3-70.9171.5-171.900111.4N355 R356 L361 E362N355-E359 WeakPolarHBondContact O-CG 3.14Å; N355-E359 PolarHBondContact O-N 3.19Å; R356-E359 PolarHBondContact O-N 3.46Å; E359-L361 VanDerWaalsContact C-N 3.32Å; E359-L361 PolarHBondContact O-N 3.4Å; E359-E362 PolarHBondContact O-N 3.45Å
360S93.5Very high93.4Very high33 Ų3358.1 Ų58.123%0.23129%0.293CS..Hα-helixtrans-63.8-36.6177.7-64.10000112.4R356 M357 Q358 E362 V363 H364R356-S360 PolarHBondContact O-N 3.09Å; R356-S360 PolarHBondContact O-OG 2.72Å; M357-S360 PolarHBondContact O-N 2.85Å; Q358-S360 PolarHBondContact O-N 3.49Å; S360-E362 VanDerWaalsContact C-N 3.32Å; S360-E362 PolarHBondContact O-N 2.99Å; S360-V363 WeakPolarHBondContact O-CG2 3.38Å; S360-H364 PolarHBondContact O-CE1 3.29Å; S360-H364 PolarHBondContact O-ND1 3.03Å
361L96.6Very high93.6Very high0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-68.9-26.3179-77.3169.9000113.3F43 I309 L312 I330 L333 M357 Q358 E359 V363 H364 F366 F369F43-L361 HydrophobicContact CE1-CD2 3.66Å; F43-L361 HydrophobicContact CE1-CG 3.94Å; F43-L361 HydrophobicContact CZ-CD2 4.04Å; I309-L361 HydrophobicContact CD1-CD2 4.39Å; L312-L361 HydrophobicContact CD1-CD1 3.73Å; L312-L361 HydrophobicContact CD1-CD2 3.56Å; L312-L361 HydrophobicContact CD1-CG 4.33Å; I330-L361 HydrophobicContact CD1-CB 4.15Å; I330-L361 HydrophobicContact CG1-CB 4.09Å; L333-L361 HydrophobicContact CD1-CD1 4.11Å; L333-L361 HydrophobicContact CD2-CD1 4.08Å; M357-L361 HydrophobicContact CE-CD1 4.03Å; M357-L361 HydrophobicContact CE-CD2 3.86Å; M357-L361 HydrophobicContact CE-CG 3.89Å; M357-L361 HydrophobicContact CG-CD1 3.79Å; M357-L361 HydrophobicContact CG-CG 4.18Å; M357-L361 VanDerWaalsContact O-CB 3.24Å; M357-L361 WeakPolarHBondContact O-CB 3.45Å; M357-L361 WeakPolarHBondContact O-CD1 3.27Å; M357-L361 WeakPolarHBondContact O-CG 3.44Å; M357-L361 PolarHBondContact O-N 2.9Å; Q358-L361 PolarHBondContact O-N 3.29Å; Q358-L361 VanDerWaalsContact O-N 3.15Å; E359-L361 VanDerWaalsContact C-N 3.32Å; E359-L361 PolarHBondContact O-N 3.4Å; L361-V363 VanDerWaalsContact C-N 3.27Å; L361-V363 PolarHBondContact O-N 3.34Å; L361-H364 PolarHBondContact O-N 3.27Å; L361-F366 HydrophobicContact CB-CE1 3.95Å; L361-F366 HydrophobicContact CB-CZ 3.92Å; L361-F366 HydrophobicContact CD1-CZ 4.38Å; L361-F366 HydrophobicContact CD2-CD1 4.47Å; L361-F366 HydrophobicContact CD2-CE1 3.59Å; L361-F366 HydrophobicContact CD2-CZ 3.82Å; L361-F366 HydrophobicContact CG-CE1 4.31Å; L361-F366 HydrophobicContact CG-CZ 4.26Å; L361-F366 WeakPolarHBondContact O-CE1 3.43Å; L361-F369 HydrophobicContact CD2-CE2 3.99Å; L361-F369 HydrophobicContact CD2-CZ 4.03Å
362E94.9Very high93.7Very high124 Ų12461 Ų6158%0.57932%0.318SS*.Hα-helixtrans-59.5-36.3-178.2-77-174.6173.700112.9K326 I330 Q358 E359 S360K326-E362 PolarHBondContact NZ-O 3.06Å; I330-E362 HydrophobicContact CD1-CG 4.08Å; Q358-E362 WeakPolarHBondContact O-CG 3.01Å; Q358-E362 PolarHBondContact O-N 3.23Å; Q358-E362 VanDerWaalsContact O-N 3.12Å; E359-E362 PolarHBondContact O-N 3.45Å; S360-E362 VanDerWaalsContact C-N 3.32Å; S360-E362 PolarHBondContact O-N 2.99Å
363V93.7Very high93.9Very high124 Ų12464.1 Ų64.175%0.75233%0.332SS*.THydrogen-bonded Turntrans-85.5-6.1-177.5-59.70000114.1S360 L361S360-V363 WeakPolarHBondContact O-CG2 3.38Å; L361-V363 VanDerWaalsContact C-N 3.27Å; L361-V363 PolarHBondContact O-N 3.34Å
364H93.7Very high94.2Very high32 Ų3264.3 Ų64.315%0.14834%0.338CS..SBendtrans-101.3143-175.2-71.188.5000113.3D42 F43 K326 S360 L361 F369D42-H364 IonicContact OD2-NE2 3.13Å; F43-H364 AromaticContact CE1-ND1 3.98Å; F43-H364 HydrophobicContact CZ-CB 4.43Å; F43-H364 AromaticContact CZ-CE1 3.73Å; F43-H364 AromaticContact CZ-CG 3.78Å; F43-H364 AromaticContact CZ-ND1 3.57Å; K326-H364 WeakPolarHBondContact CE-O 3.39Å; K326-H364 PolarHBondContact NZ-O 3.1Å; S360-H364 PolarHBondContact O-CE1 3.29Å; S360-H364 PolarHBondContact O-ND1 3.03Å; L361-H364 PolarHBondContact O-N 3.27Å; H364-F369 HydrophobicContact CB-CE1 3.9Å; H364-F369 HydrophobicContact CB-CZ 3.73Å
365D92Very high94.3Very high55 Ų5570.3 Ų70.329%0.29436%0.362SS..  trans-88.4110.4169.1-179-0.3000110.6R367 T368D365-R367 PolarHBondContact O-N 3.34Å; D365-R367 WeakPolarHBondContact OD1-CB 3.37Å; D365-R367 WeakPolarHBondContact OD1-CG 3.22Å; D365-R367 PolarHBondContact OD1-N 3.12Å; D365-R367 IonicContact OD1-NE 2.69Å; D365-R367 PolarHBondContact OD1-NE 3.13Å; D365-R367 VanDerWaalsContact OD1-NE 3.13Å; D365-R367 IonicContact OD2-CZ 3.33Å; D365-R367 VanDerWaalsContact OD2-CZ 3.25Å; D365-R367 IonicContact OD2-NE 3.25Å; D365-R367 PolarHBondContact OD2-NE 2.98Å; D365-R367 IonicContact OD2-NH2 2.76Å; D365-R367 PolarHBondContact OD2-NH2 3.27Å; D365-T368 HydrophobicContact CB-CG2 4.09Å; D365-T368 WeakPolarHBondContact O-CB 3.46Å; D365-T368 PolarHBondContact O-N 3.03Å; D365-T368 PolarHBondContact O-OG1 2.8Å
366F94.1Very high94.6Very high0 Ų067.1 Ų67.10%035%0.345CS..G310 helixtrans-63.6-16.6-176.8-65.77.5000112.9L312 K313 M316 K326 L329 I330 L361 T368 F369L312-F366 HydrophobicContact CB-CD2 4Å; L312-F366 HydrophobicContact CB-CE2 4.23Å; L312-F366 HydrophobicContact CD1-CE2 4.12Å; L312-F366 HydrophobicContact CD1-CZ 4.16Å; L312-F366 HydrophobicContact CD2-CE2 4.02Å; L312-F366 HydrophobicContact CG-CE2 4.36Å; K313-F366 VanDerWaalsContact CD-O 3.25Å; K313-F366 WeakPolarHBondContact CD-O 3.16Å; M316-F366 HydrophobicContact CE-CB 4.35Å; M316-F366 HydrophobicContact CG-CB 3.54Å; M316-F366 HydrophobicContact CG-CD2 4.22Å; M316-F366 HydrophobicContact CG-CG 4.42Å; M316-F366 HydrophobicContact SD-CB 3.88Å; M316-F366 HydrophobicContact SD-CD2 3.86Å; M316-F366 HydrophobicContact SD-CG 4.31Å; K326-F366 HydrophobicContact CD-CE1 4.47Å; K326-F366 HydrophobicContact CG-CD2 4.23Å; K326-F366 HydrophobicContact CG-CE1 4.32Å; K326-F366 HydrophobicContact CG-CE2 3.95Å; K326-F366 HydrophobicContact CG-CZ 4Å; L329-F366 HydrophobicContact CB-CE2 4.27Å; L329-F366 HydrophobicContact CD1-CD2 4.25Å; L329-F366 HydrophobicContact CD1-CE2 4.3Å; I330-F366 HydrophobicContact CD1-CZ 3.94Å; I330-F366 HydrophobicContact CG1-CE2 4.32Å; I330-F366 HydrophobicContact CG1-CZ 3.74Å; L361-F366 HydrophobicContact CB-CE1 3.95Å; L361-F366 HydrophobicContact CB-CZ 3.92Å; L361-F366 HydrophobicContact CD1-CZ 4.38Å; L361-F366 HydrophobicContact CD2-CD1 4.47Å; L361-F366 HydrophobicContact CD2-CE1 3.59Å; L361-F366 HydrophobicContact CD2-CZ 3.82Å; L361-F366 HydrophobicContact CG-CE1 4.31Å; L361-F366 HydrophobicContact CG-CZ 4.26Å; L361-F366 WeakPolarHBondContact O-CE1 3.43Å; F366-T368 VanDerWaalsContact C-N 3.26Å; F366-T368 PolarHBondContact O-N 3.39Å; F366-F369 HydrophobicContact CB-CD2 4.01Å; F366-F369 HydrophobicContact CB-CE2 4.09Å; F366-F369 HydrophobicContact CD1-CD2 4.09Å; F366-F369 AromaticContact CD1-CE2 3.29Å; F366-F369 HydrophobicContact CD1-CE2 3.29Å; F366-F369 AromaticContact CD1-CZ 3.67Å; F366-F369 HydrophobicContact CD1-CZ 3.67Å; F366-F369 AromaticContact CE1-CE2 3.85Å; F366-F369 HydrophobicContact CE1-CE2 3.85Å; F366-F369 HydrophobicContact CE1-CZ 4.12Å; F366-F369 HydrophobicContact CG-CD2 4.15Å; F366-F369 AromaticContact CG-CE2 3.76Å; F366-F369 HydrophobicContact CG-CE2 3.76Å; F366-F369 WeakPolarHBondContact O-CB 3.37Å; F366-F369 PolarHBondContact O-N 3.44Å
367R89.3Confident95Very high125 Ų12562.7 Ų62.747%0.47233%0.328SS..G310 helixtrans-72-24.1174.4-59175.1-60.7165.80.3112.3K313 M316 D365 F369K313-R367 PolarHBondContact NZ-O 2.96Å; M316-R367 HydrophobicContact CE-CG 4.35Å; D365-R367 PolarHBondContact O-N 3.34Å; D365-R367 WeakPolarHBondContact OD1-CB 3.37Å; D365-R367 WeakPolarHBondContact OD1-CG 3.22Å; D365-R367 PolarHBondContact OD1-N 3.12Å; D365-R367 IonicContact OD1-NE 2.69Å; D365-R367 PolarHBondContact OD1-NE 3.13Å; D365-R367 VanDerWaalsContact OD1-NE 3.13Å; D365-R367 IonicContact OD2-CZ 3.33Å; D365-R367 VanDerWaalsContact OD2-CZ 3.25Å; D365-R367 IonicContact OD2-NE 3.25Å; D365-R367 PolarHBondContact OD2-NE 2.98Å; D365-R367 IonicContact OD2-NH2 2.76Å; D365-R367 PolarHBondContact OD2-NH2 3.27Å; R367-F369 VanDerWaalsContact C-N 3.26Å
368T92.1Very high95Very high78 Ų7868.6 Ų68.648%0.47935%0.354SS..G310 helixtrans-81.9-9.6177.370.80000112.4K39 D365 F366K39-T368 PolarHBondContact NZ-OG1 3.09Å; D365-T368 HydrophobicContact CB-CG2 4.09Å; D365-T368 WeakPolarHBondContact O-CB 3.46Å; D365-T368 PolarHBondContact O-N 3.03Å; D365-T368 PolarHBondContact O-OG1 2.8Å; F366-T368 VanDerWaalsContact C-N 3.26Å; F366-T368 PolarHBondContact O-N 3.39Å
369F96.2Very high95Very high4 Ų467.4 Ų67.42%0.01835%0.351CS..SBendtrans-67.9141.2177.8-67.8-13.1000111.1F43 I309 L312 K313 L361 H364 F366 R367F43-F369 HydrophobicContact CZ-CE1 4.4Å; F43-F369 HydrophobicContact CZ-CZ 4.04Å; I309-F369 HydrophobicContact CD1-CD2 4.14Å; I309-F369 HydrophobicContact CD1-CE1 4.3Å; I309-F369 HydrophobicContact CD1-CE2 3.75Å; I309-F369 HydrophobicContact CD1-CZ 3.84Å; I309-F369 HydrophobicContact CG2-CB 3.67Å; I309-F369 HydrophobicContact CG2-CD1 4.13Å; I309-F369 HydrophobicContact CG2-CD2 3.86Å; I309-F369 HydrophobicContact CG2-CG 3.64Å; L312-F369 HydrophobicContact CB-CD2 4.37Å; L312-F369 HydrophobicContact CB-CE2 4.49Å; L312-F369 HydrophobicContact CD1-CE2 4.37Å; K313-F369 HydrophobicContact CB-CB 3.89Å; K313-F369 HydrophobicContact CD-CB 4.41Å; K313-F369 WeakPolarHBondContact CD-O 3.2Å; K313-F369 WeakPolarHBondContact CE-O 3.18Å; K313-F369 HydrophobicContact CG-CB 4.43Å; K313-F369 WeakPolarHBondContact CG-O 3.49Å; L361-F369 HydrophobicContact CD2-CE2 3.99Å; L361-F369 HydrophobicContact CD2-CZ 4.03Å; H364-F369 HydrophobicContact CB-CE1 3.9Å; H364-F369 HydrophobicContact CB-CZ 3.73Å; F366-F369 HydrophobicContact CB-CD2 4.01Å; F366-F369 HydrophobicContact CB-CE2 4.09Å; F366-F369 HydrophobicContact CD1-CD2 4.09Å; F366-F369 AromaticContact CD1-CE2 3.29Å; F366-F369 HydrophobicContact CD1-CE2 3.29Å; F366-F369 AromaticContact CD1-CZ 3.67Å; F366-F369 HydrophobicContact CD1-CZ 3.67Å; F366-F369 AromaticContact CE1-CE2 3.85Å; F366-F369 HydrophobicContact CE1-CE2 3.85Å; F366-F369 HydrophobicContact CE1-CZ 4.12Å; F366-F369 HydrophobicContact CG-CD2 4.15Å; F366-F369 AromaticContact CG-CE2 3.76Å; F366-F369 HydrophobicContact CG-CE2 3.76Å; F366-F369 WeakPolarHBondContact O-CB 3.37Å; F366-F369 PolarHBondContact O-N 3.44Å; R367-F369 VanDerWaalsContact C-N 3.26Å
370P95.7Very high95.2Very high22 Ų2261.1 Ų61.114%0.14332%0.322CS..PPolyproline II helixtrans-69.3152.4176.933.2-40.6000111.1L37 Y38 I309L37-P370 HydrophobicContact CD1-CB 3.93Å; L37-P370 HydrophobicContact CD1-CG 4.38Å; L37-P370 HydrophobicContact CG-CB 4.04Å; L37-P370 HydrophobicContact CG-CG 4.09Å; L37-P370 WeakPolarHBondContact O-CG 3.46Å; Y38-P370 HydrophobicContact CD1-CG 3.37Å; Y38-P370 HydrophobicContact CE1-CB 4.24Å; Y38-P370 HydrophobicContact CE1-CG 3.53Å; Y38-P370 HydrophobicContact CG-CG 4.18Å; I309-P370 HydrophobicContact CG2-CG 4.33Å
371A95.6Very high95.3Very high68 Ų6862.1 Ų62.156%0.56232%0.324SS*.PPolyproline II helixtrans-73.4156.4162.700000110.1Q373A371-Q373 PolarHBondContact O-N 3.12Å
372L96.2Very high95.2Very high67 Ų6765.5 Ų65.535%0.35134%0.34SS..PPolyproline II helixtrans-58.8130.6179.3-16572.9000110.5Y38 Y307 S310 P374 I377Y38-L372 WeakPolarHBondContact OH-CA 3.19Å; Y307-L372 HydrophobicContact CD1-CD1 3.88Å; Y307-L372 HydrophobicContact CD1-CD2 4.04Å; Y307-L372 HydrophobicContact CE1-CD1 4.12Å; Y307-L372 HydrophobicContact CE1-CD2 3.78Å; S310-L372 VanDerWaalsContact OG-CA 3.31Å; S310-L372 WeakPolarHBondContact OG-CA 3.4Å; S310-L372 WeakPolarHBondContact OG-CD1 3.4Å; S310-L372 PolarHBondContact OG-N 3.39Å; L372-P374 WeakPolarHBondContact O-CD 3.42Å; L372-I377 HydrophobicContact CD1-CD1 4.07Å; L372-I377 HydrophobicContact CD1-CG1 3.92Å; L372-I377 HydrophobicContact CG-CG1 4.36Å
373Q97.3Very high95.2Very high85 Ų8559.7 Ų59.740%0.39731%0.313SS..  trans-105.499.3174-69.1-163.812.300109.7L37 Y38 A371 K375 L376 I377L37-Q373 HydrophobicContact CD2-CB 4.2Å; L37-Q373 HydrophobicContact CD2-CG 3.68Å; L37-Q373 VanDerWaalsContact CD2-NE2 3.31Å; Y38-Q373 PolarHBondContact OH-N 3.2Å; A371-Q373 PolarHBondContact O-N 3.12Å; Q373-K375 PolarHBondContact O-N 2.79Å; Q373-K375 VanDerWaalsContact O-N 3.13Å; Q373-L376 HydrophobicContact CB-CB 4.46Å; Q373-L376 HydrophobicContact CB-CD1 4.21Å; Q373-L376 HydrophobicContact CB-CG 4.34Å; Q373-L376 PolarHBondContact O-N 3.3Å; Q373-L376 VanDerWaalsContact O-N 3.14Å; Q373-I377 PolarHBondContact O-N 3.28Å
374P96.1Very high95.3Very high96 Ų9655.3 Ų55.362%0.62329%0.286SS*.Hα-helixtrans-59.2-30.1-175.9-25.935.4000113.6L372 I377 K378L372-P374 WeakPolarHBondContact O-CD 3.42Å; P374-I377 PolarHBondContact O-N 2.76Å; P374-K378 VanDerWaalsContact O-CB 3.3Å; P374-K378 WeakPolarHBondContact O-CB 3.22Å; P374-K378 PolarHBondContact O-N 3.39Å
375K97.1Very high95.1Very high185 Ų18558 Ų5880%0.80431%0.308SS*.Hα-helixtrans-62.7-42.2178.4-69.1-174.6179-179.40112.7Q373 A379Q373-K375 PolarHBondContact O-N 2.79Å; Q373-K375 VanDerWaalsContact O-N 3.13Å; K375-A379 WeakPolarHBondContact O-CB 3.44Å; K375-A379 PolarHBondContact O-N 3.43Å
376L97.4Very high95Very high34 Ų3457.8 Ų57.818%0.17831%0.311CS..Hα-helixtrans-72.2-40.8179.7-68.6177.9000111.5P33 L34 L37 Q373 A379 V380P33-L376 HydrophobicContact CB-CD2 4.06Å; L34-L376 HydrophobicContact CD1-CB 3.73Å; L37-L376 HydrophobicContact CB-CD1 4.33Å; L37-L376 HydrophobicContact CD2-CD1 3.47Å; L37-L376 VanDerWaalsContact CD2-CD1 3.47Å; Q373-L376 HydrophobicContact CB-CB 4.46Å; Q373-L376 HydrophobicContact CB-CD1 4.21Å; Q373-L376 HydrophobicContact CB-CG 4.34Å; Q373-L376 PolarHBondContact O-N 3.3Å; Q373-L376 VanDerWaalsContact O-N 3.14Å; L376-A379 WeakPolarHBondContact O-CB 3.44Å; L376-A379 PolarHBondContact O-N 3.07Å; L376-V380 PolarHBondContact O-N 3.18Å; L376-V380 VanDerWaalsContact O-N 3.12Å
377I97.6Very high94.9Very high8 Ų859.1 Ų59.14%0.04132%0.317CS..Hα-helixtrans-59.1-49.3174.1-62.6-63.4000110.4L34 K303 A306 Y307 L372 Q373 P374 A379 V380 D381L34-I377 HydrophobicContact CD1-CD1 3.87Å; K303-I377 HydrophobicContact CG-CD1 4.14Å; A306-I377 HydrophobicContact CB-CD1 3.95Å; Y307-I377 VanDerWaalsContact OH-CG2 3.29Å; Y307-I377 WeakPolarHBondContact OH-CG2 3.48Å; L372-I377 HydrophobicContact CD1-CD1 4.07Å; L372-I377 HydrophobicContact CD1-CG1 3.92Å; L372-I377 HydrophobicContact CG-CG1 4.36Å; Q373-I377 PolarHBondContact O-N 3.28Å; P374-I377 PolarHBondContact O-N 2.76Å; I377-A379 VanDerWaalsContact C-N 3.27Å; I377-A379 PolarHBondContact O-N 2.99Å; I377-V380 PolarHBondContact O-N 2.77Å; I377-V380 VanDerWaalsContact O-N 3.1Å; I377-D381 PolarHBondContact O-N 3.12Å
378K96.3Very high95Very high128 Ų12853.6 Ų53.656%0.55730%0.297SS*.Hα-helixtrans-58.7-39.9177.5-164.7-170.3-173.1-1160111.9P374 V380 D381 E382P374-K378 VanDerWaalsContact O-CB 3.3Å; P374-K378 WeakPolarHBondContact O-CB 3.22Å; P374-K378 PolarHBondContact O-N 3.39Å; K378-V380 VanDerWaalsContact C-N 3.31Å; K378-V380 PolarHBondContact O-N 2.92Å; K378-D381 PolarHBondContact O-N 3.31Å; K378-E382 VanDerWaalsContact CE-OE1 3.32Å; K378-E382 WeakPolarHBondContact CE-OE1 3.36Å; K378-E382 HydrophobicContact CG-CG 4.49Å; K378-E382 IonicContact NZ-OE1 3.88Å; K378-E382 PolarHBondContact NZ-OE1 3.16Å; K378-E382 WeakPolarHBondContact O-CB 3.28Å; K378-E382 VanDerWaalsContact O-CG 3.3Å; K378-E382 WeakPolarHBondContact O-CG 3.45Å; K378-E382 PolarHBondContact O-N 3.27Å
379A96.9Very high94.9Very high16 Ų1652 Ų5213%0.13229%0.292CS..Hα-helixtrans-62.4-37.9177.700000112.5K30 K375 L376 I377 M383K30-A379 HydrophobicContact CD-CB 3.96Å; K375-A379 WeakPolarHBondContact O-CB 3.44Å; K375-A379 PolarHBondContact O-N 3.43Å; L376-A379 WeakPolarHBondContact O-CB 3.44Å; L376-A379 PolarHBondContact O-N 3.07Å; I377-A379 VanDerWaalsContact C-N 3.27Å; I377-A379 PolarHBondContact O-N 2.99Å; A379-M383 WeakPolarHBondContact O-CB 3.3Å; A379-M383 PolarHBondContact O-N 3.11Å
380V96.9Very high94.6Very high0 Ų054.7 Ų54.70%030%0.304CS..Hα-helixtrans-73.8-38175.1172.90000111.9L31 L34 K303 L376 I377 K378 M383 L384L31-V380 HydrophobicContact CD1-CG2 4.27Å; L34-V380 HydrophobicContact CB-CG2 4.32Å; L34-V380 HydrophobicContact CD2-CG2 3.98Å; K303-V380 HydrophobicContact CB-CG1 4.44Å; L376-V380 PolarHBondContact O-N 3.18Å; L376-V380 VanDerWaalsContact O-N 3.12Å; I377-V380 PolarHBondContact O-N 2.77Å; I377-V380 VanDerWaalsContact O-N 3.1Å; K378-V380 VanDerWaalsContact C-N 3.31Å; K378-V380 PolarHBondContact O-N 2.92Å; V380-M383 HydrophobicContact CG1-CE 4.08Å; V380-M383 WeakPolarHBondContact O-CB 3.4Å; V380-M383 PolarHBondContact O-N 2.83Å; V380-L384 HydrophobicContact CG1-CD1 4.08Å; V380-L384 HydrophobicContact CG1-CG 4.45Å; V380-L384 WeakPolarHBondContact O-CB 3.15Å; V380-L384 WeakPolarHBondContact O-CG 3.42Å; V380-L384 PolarHBondContact O-N 3.09Å
381D95.6Very high94.4Very high53 Ų5353.7 Ų53.728%0.28330%0.297SS..Hα-helixtrans-64.3-42.6174.7-74.5-34.7000112K303 I377 K378 L384 S385K303-D381 VanDerWaalsContact CD-OD1 3.25Å; K303-D381 WeakPolarHBondContact CD-OD1 3.45Å; K303-D381 IonicContact NZ-OD1 3.22Å; K303-D381 PolarHBondContact NZ-OD1 3.06Å; I377-D381 PolarHBondContact O-N 3.12Å; K378-D381 PolarHBondContact O-N 3.31Å; D381-L384 PolarHBondContact O-N 3.44Å; D381-S385 VanDerWaalsContact O-CB 3.3Å; D381-S385 WeakPolarHBondContact O-CB 3.36Å; D381-S385 PolarHBondContact O-N 3.41Å; D381-S385 PolarHBondContact O-OG 3.46Å
382E95Very high94.2Very high72 Ų7253.8 Ų53.834%0.33629%0.291SS..Hα-helixtrans-61.3-46172.8-74.1171.5-179.700111.1K378 L384 S385 S386K378-E382 VanDerWaalsContact CE-OE1 3.32Å; K378-E382 WeakPolarHBondContact CE-OE1 3.36Å; K378-E382 HydrophobicContact CG-CG 4.49Å; K378-E382 IonicContact NZ-OE1 3.88Å; K378-E382 PolarHBondContact NZ-OE1 3.16Å; K378-E382 WeakPolarHBondContact O-CB 3.28Å; K378-E382 VanDerWaalsContact O-CG 3.3Å; K378-E382 WeakPolarHBondContact O-CG 3.45Å; K378-E382 PolarHBondContact O-N 3.27Å; E382-L384 VanDerWaalsContact C-N 3.34Å; E382-L384 PolarHBondContact O-N 3.31Å; E382-S385 PolarHBondContact O-N 3.07Å; E382-S385 PolarHBondContact O-OG 3.33Å; E382-S386 PolarHBondContact O-N 3.42Å; E382-S386 PolarHBondContact O-OG 3.29Å
383M95.3Very high93.9Very high1 Ų157.6 Ų57.61%0.00531%0.306CS..Iπ-helixtrans-55.1-48.9175.2172.6-173.78600111.7L26 K30 L31 F295 A299 A379 V380 E387 V388L26-M383 HydrophobicContact CB-CG 4.23Å; L26-M383 HydrophobicContact CB-SD 4Å; L26-M383 HydrophobicContact CD1-CG 4.21Å; L26-M383 HydrophobicContact CD2-CG 4.1Å; L26-M383 HydrophobicContact CG-CG 4.41Å; K30-M383 HydrophobicContact CB-CB 4.35Å; K30-M383 HydrophobicContact CB-SD 3.82Å; L31-M383 HydrophobicContact CB-CE 4.38Å; L31-M383 HydrophobicContact CB-SD 4.42Å; F295-M383 HydrophobicContact CE1-CE 3.84Å; F295-M383 HydrophobicContact CE1-CG 4.43Å; F295-M383 HydrophobicContact CE1-SD 3.81Å; F295-M383 HydrophobicContact CZ-CE 3.85Å; F295-M383 HydrophobicContact CZ-SD 3.57Å; F295-M383 VanDerWaalsContact CZ-SD 3.57Å; A299-M383 HydrophobicContact CB-CE 3.51Å; A379-M383 WeakPolarHBondContact O-CB 3.3Å; A379-M383 PolarHBondContact O-N 3.11Å; V380-M383 HydrophobicContact CG1-CE 4.08Å; V380-M383 WeakPolarHBondContact O-CB 3.4Å; V380-M383 PolarHBondContact O-N 2.83Å; M383-E387 WeakPolarHBondContact O-CB 3.48Å; M383-E387 PolarHBondContact O-N 2.89Å; M383-V388 WeakPolarHBondContact O-CG2 3.29Å; M383-V388 PolarHBondContact O-N 2.93Å
384L94Very high93.5Very high33 Ų3355.9 Ų55.917%0.17330%0.299CS..Iπ-helixtrans-70.9-34-177.4-73.6174.7000113.5I296 A299 R300 V380 D381 E382 V388I296-L384 HydrophobicContact CG1-CD2 4.44Å; I296-L384 HydrophobicContact CG2-CD2 4.17Å; A299-L384 HydrophobicContact CB-CD1 4.37Å; A299-L384 HydrophobicContact CB-CD2 3.89Å; A299-L384 HydrophobicContact CB-CG 4.36Å; R300-L384 HydrophobicContact CG-CD1 4.17Å; V380-L384 HydrophobicContact CG1-CD1 4.08Å; V380-L384 HydrophobicContact CG1-CG 4.45Å; V380-L384 WeakPolarHBondContact O-CB 3.15Å; V380-L384 WeakPolarHBondContact O-CG 3.42Å; V380-L384 PolarHBondContact O-N 3.09Å; D381-L384 PolarHBondContact O-N 3.44Å; E382-L384 VanDerWaalsContact C-N 3.34Å; E382-L384 PolarHBondContact O-N 3.31Å; L384-V388 HydrophobicContact CD2-CG2 4.35Å
385S91.2Very high93.1Very high88 Ų8852.4 Ų52.462%0.61528%0.275SS*.Iπ-helixtrans-88.6-33.9-174.957.20000114D381 E382D381-S385 VanDerWaalsContact O-CB 3.3Å; D381-S385 WeakPolarHBondContact O-CB 3.36Å; D381-S385 PolarHBondContact O-N 3.41Å; D381-S385 PolarHBondContact O-OG 3.46Å; E382-S385 PolarHBondContact O-N 3.07Å; E382-S385 PolarHBondContact O-OG 3.33Å
386S89.8Confident92.5Very high51 Ų5147 Ų4736%0.35726%0.259SS..Iπ-helixtrans-115-45.4-176.968.40000114.2E382 K390E382-S386 PolarHBondContact O-N 3.42Å; E382-S386 PolarHBondContact O-OG 3.29Å; S386-K390 WeakPolarHBondContact O-CG 3.22Å
387E92Very high91.9Very high27 Ų2752.3 Ų52.313%0.12628%0.284CS..Iπ-helixtrans-76.7-44.8-172.3-59.3-55.5131.900112Y16 L26 M383 A389 K390 L391Y16-E387 PolarHBondContact OH-OE2 3.43Å; L26-E387 HydrophobicContact CD1-CB 3.75Å; L26-E387 HydrophobicContact CD2-CB 3.72Å; L26-E387 HydrophobicContact CD2-CG 3.87Å; L26-E387 HydrophobicContact CG-CB 4.38Å; M383-E387 WeakPolarHBondContact O-CB 3.48Å; M383-E387 PolarHBondContact O-N 2.89Å; E387-A389 VanDerWaalsContact C-N 3.25Å; E387-A389 PolarHBondContact O-N 2.97Å; E387-K390 WeakPolarHBondContact O-CB 3.38Å; E387-K390 PolarHBondContact O-N 3.09Å; E387-K390 VanDerWaalsContact O-N 3.09Å; E387-K390 IonicContact OE1-NZ 3.67Å; E387-K390 PolarHBondContact OE1-NZ 3.31Å; E387-K390 IonicContact OE2-NZ 2.9Å; E387-K390 PolarHBondContact OE2-NZ 3.08Å; E387-L391 PolarHBondContact O-N 3.49Å
388V91.2Very high91Very high9 Ų953.2 Ų53.26%0.05529%0.289CS..Hα-helixtrans-58.2-38.7175.2164.80000111.5L292 F295 I296 M383 L384 K390 L391 V392L292-V388 HydrophobicContact CD1-CG1 4.21Å; F295-V388 HydrophobicContact CE1-CG2 4.47Å; I296-V388 HydrophobicContact CD1-CG1 3.54Å; I296-V388 HydrophobicContact CG1-CG1 3.83Å; I296-V388 HydrophobicContact CG1-CG2 4.3Å; M383-V388 WeakPolarHBondContact O-CG2 3.29Å; M383-V388 PolarHBondContact O-N 2.93Å; L384-V388 HydrophobicContact CD2-CG2 4.35Å; V388-K390 VanDerWaalsContact C-N 3.28Å; V388-K390 PolarHBondContact O-N 3.08Å; V388-L391 PolarHBondContact O-N 3.49Å; V388-L391 VanDerWaalsContact O-N 3.13Å; V388-V392 HydrophobicContact CG1-CG2 4.41Å; V388-V392 WeakPolarHBondContact O-CG2 3.39Å; V388-V392 PolarHBondContact O-N 2.92Å
389A89.3Confident90.3Very high45 Ų4553.1 Ų53.137%0.37229%0.285SS..Hα-helixtrans-61.4-35.517800000112.7E387 V392 Q393E387-A389 VanDerWaalsContact C-N 3.25Å; E387-A389 PolarHBondContact O-N 2.97Å; A389-V392 PolarHBondContact O-N 3.03Å; A389-Q393 WeakPolarHBondContact O-CG 3.25Å; A389-Q393 PolarHBondContact O-N 3.2Å
390K90.3Very high89.4Confident61 Ų6156.9 Ų56.927%0.26530%0.302SS..Hα-helixtrans-67.3-41.7174.4-61171.9-163.6163.40111.2S386 E387 V388 V392 Q393 M394S386-K390 WeakPolarHBondContact O-CG 3.22Å; E387-K390 WeakPolarHBondContact O-CB 3.38Å; E387-K390 PolarHBondContact O-N 3.09Å; E387-K390 VanDerWaalsContact O-N 3.09Å; E387-K390 IonicContact OE1-NZ 3.67Å; E387-K390 PolarHBondContact OE1-NZ 3.31Å; E387-K390 IonicContact OE2-NZ 2.9Å; E387-K390 PolarHBondContact OE2-NZ 3.08Å; V388-K390 VanDerWaalsContact C-N 3.28Å; V388-K390 PolarHBondContact O-N 3.08Å; K390-V392 VanDerWaalsContact C-N 3.34Å; K390-V392 PolarHBondContact O-N 3.48Å; K390-Q393 WeakPolarHBondContact O-CB 3.21Å; K390-Q393 PolarHBondContact O-N 3.32Å; K390-Q393 VanDerWaalsContact O-N 3.16Å; K390-M394 PolarHBondContact O-N 2.64Å
391L92.1Very high88.4Confident0 Ų058.9 Ų58.90%032%0.319CS..Hα-helixtrans-63.7-40.1177.3-59.8-172.9000111.7Y16 V19 L23 L26 L292 E387 V388 Q393 M394 I395Y16-L391 HydrophobicContact CD2-CD2 3.54Å; Y16-L391 HydrophobicContact CE2-CD2 3.98Å; Y16-L391 HydrophobicContact CG-CD2 4.13Å; V19-L391 HydrophobicContact CG1-CB 4.2Å; V19-L391 WeakPolarHBondContact CG2-O 3.31Å; L23-L391 HydrophobicContact CD2-CD1 3.89Å; L23-L391 HydrophobicContact CG-CD1 4.09Å; L26-L391 HydrophobicContact CD1-CD1 3.75Å; L292-L391 HydrophobicContact CD1-CB 4.21Å; L292-L391 HydrophobicContact CD1-CD1 4.33Å; E387-L391 PolarHBondContact O-N 3.49Å; V388-L391 PolarHBondContact O-N 3.49Å; V388-L391 VanDerWaalsContact O-N 3.13Å; L391-Q393 PolarHBondContact O-N 3.3Å; L391-M394 HydrophobicContact CD2-SD 4.23Å; L391-M394 PolarHBondContact O-N 2.76Å; L391-I395 PolarHBondContact O-N 3.17Å
392V90.1Very high87.3Confident71 Ų7158 Ų5843%0.4331%0.314SS..Hα-helixtrans-57.1-38.7174.1174.10000111.4L292 V388 A389 K390 M394 I395L292-V392 HydrophobicContact CD2-CB 4.47Å; L292-V392 HydrophobicContact CD2-CG2 3.63Å; V388-V392 HydrophobicContact CG1-CG2 4.41Å; V388-V392 WeakPolarHBondContact O-CG2 3.39Å; V388-V392 PolarHBondContact O-N 2.92Å; A389-V392 PolarHBondContact O-N 3.03Å; K390-V392 VanDerWaalsContact C-N 3.34Å; K390-V392 PolarHBondContact O-N 3.48Å; V392-M394 PolarHBondContact O-N 3.29Å; V392-I395 WeakPolarHBondContact O-CB 3.39Å; V392-I395 PolarHBondContact O-N 2.93Å
393Q89.5Confident86.2Confident146 Ų14656.7 Ų56.768%0.68231%0.311SS*.Hα-helixtrans-68-22.4179.5-68.8172.55.200113.4A389 K390 L391A389-Q393 WeakPolarHBondContact O-CG 3.25Å; A389-Q393 PolarHBondContact O-N 3.2Å; K390-Q393 WeakPolarHBondContact O-CB 3.21Å; K390-Q393 PolarHBondContact O-N 3.32Å; K390-Q393 VanDerWaalsContact O-N 3.16Å; L391-Q393 PolarHBondContact O-N 3.3Å
394M89.4Confident84.9Confident49 Ų4964.7 Ų64.724%0.24135%0.348CS..Hα-helixtrans-83.7-18.6178-63170.568.700112.7V19 K390 L391 V392 M397 E398V19-M394 HydrophobicContact CG2-CB 3.63Å; K390-M394 PolarHBondContact O-N 2.64Å; L391-M394 HydrophobicContact CD2-SD 4.23Å; L391-M394 PolarHBondContact O-N 2.76Å; V392-M394 PolarHBondContact O-N 3.29Å; M394-M397 PolarHBondContact O-N 3.18Å; M394-E398 PolarHBondContact O-N 3.29Å; M394-E398 VanDerWaalsContact O-N 3.07Å
395I87.7Confident83.6Confident23 Ų2368.2 Ų68.212%0.11837%0.372CS..Hα-helixtrans-55.3-46.7-175-66.6-71.5000113.6V19 T288 L289 L292 L391 V392 M397 E398 R399V19-I395 HydrophobicContact CB-CD1 4.49Å; V19-I395 HydrophobicContact CG1-CD1 4.15Å; V19-I395 HydrophobicContact CG2-CD1 4Å; V19-I395 HydrophobicContact CG2-CG1 4.46Å; T288-I395 HydrophobicContact CG2-CD1 3.59Å; L289-I395 HydrophobicContact CB-CD1 4.3Å; L289-I395 HydrophobicContact CB-CG2 4.27Å; L289-I395 HydrophobicContact CD1-CD1 4.49Å; L289-I395 HydrophobicContact CD1-CG1 4.36Å; L289-I395 HydrophobicContact CD1-CG2 4.38Å; L292-I395 HydrophobicContact CD2-CD1 4.19Å; L292-I395 HydrophobicContact CD2-CG1 4.18Å; L391-I395 PolarHBondContact O-N 3.17Å; V392-I395 WeakPolarHBondContact O-CB 3.39Å; V392-I395 PolarHBondContact O-N 2.93Å; I395-M397 VanDerWaalsContact C-N 3.33Å; I395-M397 PolarHBondContact O-N 3.5Å; I395-E398 PolarHBondContact O-N 3.33Å; I395-R399 WeakPolarHBondContact O-CB 3.27Å; I395-R399 PolarHBondContact O-N 2.98Å
396P85.4Confident82.1Confident73 Ų7369.9 Ų69.947%0.47437%0.369SS..Hα-helixtrans-59.9-44-179.4-24.235.4000112.2E398 R399 D400P396-E398 PolarHBondContact O-N 3.48Å; P396-R399 PolarHBondContact O-N 2.75Å; P396-D400 VanDerWaalsContact O-CG 3.27Å; P396-D400 PolarHBondContact O-N 2.96Å
397M83.3Confident80.6Confident144 Ų14468.8 Ų68.871%0.70937%0.366SS*.Hα-helixtrans-65-40.1179.5-62.1176.767.500111.9M394 I395 D400 A401M394-M397 PolarHBondContact O-N 3.18Å; I395-M397 VanDerWaalsContact C-N 3.33Å; I395-M397 PolarHBondContact O-N 3.5Å; M397-D400 PolarHBondContact O-N 3.32Å; M397-A401 WeakPolarHBondContact O-CB 3.35Å; M397-A401 PolarHBondContact O-N 3.47Å
398E80.4Confident78.9Confident28 Ų2871.8 Ų71.813%0.13139%0.388CS..Hα-helixtrans-69.1-38.2178.1-164.4172.3140.500111.5V19 T288 M394 I395 P396 A401 I402V19-E398 WeakPolarHBondContact CB-OE2 3.42Å; V19-E398 WeakPolarHBondContact CG2-OE2 3.4Å; V19-E398 PolarHBondContact N-OE2 3.4Å; T288-E398 WeakPolarHBondContact CB-OE1 3.24Å; T288-E398 WeakPolarHBondContact CG2-OE1 3.49Å; T288-E398 PolarHBondContact OG1-OE1 3.49Å; M394-E398 PolarHBondContact O-N 3.29Å; M394-E398 VanDerWaalsContact O-N 3.07Å; I395-E398 PolarHBondContact O-N 3.33Å; P396-E398 PolarHBondContact O-N 3.48Å; E398-A401 PolarHBondContact O-N 2.94Å; E398-I402 HydrophobicContact CG-CD1 4.31Å; E398-I402 VanDerWaalsContact O-CG1 3.25Å; E398-I402 WeakPolarHBondContact O-CG1 3.3Å; E398-I402 PolarHBondContact O-N 2.91Å
399R80.2Confident77.7Confident126 Ų12673.5 Ų73.548%0.47540%0.403SS..Hα-helixtrans-61.3-46.5173.2178.1177.3167.8175.4-3.9111.2A285 I395 P396 A401 I402 V403A285-R399 HydrophobicContact CB-CG 4.32Å; I395-R399 WeakPolarHBondContact O-CB 3.27Å; I395-R399 PolarHBondContact O-N 2.98Å; P396-R399 PolarHBondContact O-N 2.75Å; R399-A401 VanDerWaalsContact C-N 3.35Å; R399-I402 PolarHBondContact O-N 3.11Å; R399-V403 HydrophobicContact CG-CG2 4.43Å; R399-V403 WeakPolarHBondContact O-CB 3.39Å; R399-V403 WeakPolarHBondContact O-CG2 3.12Å; R399-V403 PolarHBondContact O-N 3.43Å
400D77.9Confident77.2Confident94 Ų9471.8 Ų71.850%0.50339%0.387SS..Hα-helixtrans-63.2-42.7178.6-66.8-19.6000110.8P396 M397 I402 V403 E404P396-D400 VanDerWaalsContact O-CG 3.27Å; P396-D400 PolarHBondContact O-N 2.96Å; M397-D400 PolarHBondContact O-N 3.32Å; D400-I402 PolarHBondContact O-N 3.07Å; D400-V403 WeakPolarHBondContact O-CB 2.91Å; D400-V403 PolarHBondContact O-N 3.29Å; D400-E404 WeakPolarHBondContact O-CG 3.44Å; D400-E404 PolarHBondContact O-N 3.24Å
401A77.2Confident76.7Confident43 Ų4372.7 Ų72.736%0.35540%0.398SS..Hα-helixtrans-61.5-41.2174.800000112.7M397 E398 R399 E404 T405M397-A401 WeakPolarHBondContact O-CB 3.35Å; M397-A401 PolarHBondContact O-N 3.47Å; E398-A401 PolarHBondContact O-N 2.94Å; R399-A401 VanDerWaalsContact C-N 3.35Å; A401-E404 PolarHBondContact O-N 3.38Å; A401-T405 WeakPolarHBondContact O-CB 3.1Å; A401-T405 PolarHBondContact O-N 3.09Å; A401-T405 PolarHBondContact O-OG1 3.21Å
402I72.9Confident76.3Confident34 Ų3473.7 Ų73.717%0.17441%0.409CS..Hα-helixtrans-63.5-44.2175.2-69.6164.6000110.3E398 R399 D400 E404 T405 H406E398-I402 HydrophobicContact CG-CD1 4.31Å; E398-I402 VanDerWaalsContact O-CG1 3.25Å; E398-I402 WeakPolarHBondContact O-CG1 3.3Å; E398-I402 PolarHBondContact O-N 2.91Å; R399-I402 PolarHBondContact O-N 3.11Å; D400-I402 PolarHBondContact O-N 3.07Å; I402-E404 VanDerWaalsContact C-N 3.32Å; I402-E404 PolarHBondContact O-N 3.47Å; I402-T405 PolarHBondContact O-N 3.24Å; I402-H406 PolarHBondContact O-N 2.81Å
403V71.1Confident76.2Confident45 Ų4571.9 Ų71.927%0.27341%0.405SS..Hα-helixtrans-62.2-38.5177.6171.20000111.4R399 D400 G407 P408R399-V403 HydrophobicContact CG-CG2 4.43Å; R399-V403 WeakPolarHBondContact O-CB 3.39Å; R399-V403 WeakPolarHBondContact O-CG2 3.12Å; R399-V403 PolarHBondContact O-N 3.43Å; D400-V403 WeakPolarHBondContact O-CB 2.91Å; D400-V403 PolarHBondContact O-N 3.29Å; V403-G407 CarbonylContact O-C 3.59Å; V403-G407 VanDerWaalsContact O-C 3.31Å; V403-G407 WeakPolarHBondContact O-CA 3.17Å; V403-G407 PolarHBondContact O-N 3.38Å; V403-P408 HydrophobicContact CG1-CB 3.88Å; V403-P408 HydrophobicContact CG1-CG 4.38Å; V403-P408 HydrophobicContact CG2-CB 4.26Å
404E68.9Low76Confident168 Ų16866 Ų6679%0.78538%0.38SS*.Hα-helixtrans-69.8-40.7176-75.1179.8178.400112.5D400 A401 I402D400-E404 WeakPolarHBondContact O-CG 3.44Å; D400-E404 PolarHBondContact O-N 3.24Å; A401-E404 PolarHBondContact O-N 3.38Å; I402-E404 VanDerWaalsContact C-N 3.32Å; I402-E404 PolarHBondContact O-N 3.47Å
405T65Low75.7Confident108 Ų10865.1 Ų65.166%0.66338%0.375SS*.Hα-helixtrans-83.3-39.8-172.3-41.40000112.6A401 I402A401-T405 WeakPolarHBondContact O-CB 3.1Å; A401-T405 PolarHBondContact O-N 3.09Å; A401-T405 PolarHBondContact O-OG1 3.21Å; I402-T405 PolarHBondContact O-N 3.24Å
406H59.8Low75.1Confident123 Ų12368.8 Ų68.857%0.56940%0.395SS*.Hα-helixtrans-114.5-3.3-173.5-60.785.7000113.1I402I402-H406 PolarHBondContact O-N 2.81Å
407G58Low74.1Confident27 Ų2768.5 Ų68.528%0.27839%0.392SS..  trans79.7162.5-16700000112V403 A409V403-G407 CarbonylContact O-C 3.59Å; V403-G407 VanDerWaalsContact O-C 3.31Å; V403-G407 WeakPolarHBondContact O-CA 3.17Å; V403-G407 PolarHBondContact O-N 3.38Å; G407-A409 PolarHBondContact O-N 3.29Å
408P56.4Low73.2Confident91 Ų9166 Ų6659%0.59139%0.389SS*.SBendtrans-70.6-7.5179.926.8-32.8000114.4V403V403-P408 HydrophobicContact CG1-CB 3.88Å; V403-P408 HydrophobicContact CG1-CG 4.38Å; V403-P408 HydrophobicContact CG2-CB 4.26Å
409A65.9Low72.5Confident44 Ų4466.5 Ų66.536%0.36440%0.402SS..SBendtrans-143.3149.5-167.100000111.4A281 G407 T411A281-A409 HydrophobicContact CB-CB 4.13Å; G407-A409 PolarHBondContact O-N 3.29Å; A409-T411 WeakPolarHBondContact O-CG2 3.25Å; A409-T411 PolarHBondContact O-N 2.94Å
410V80.2Confident72.3Confident9 Ų963 Ų636%0.05539%0.394CS..  trans-51128163.4177.80000109.2V143 I147 P284 F415V143-V410 HydrophobicContact CB-CG1 3.99Å; V143-V410 HydrophobicContact CG1-CG1 3.58Å; V143-V410 HydrophobicContact CG2-CG1 4.17Å; I147-V410 HydrophobicContact CD1-CG2 3.41Å; I147-V410 VanDerWaalsContact CD1-CG2 3.41Å; I147-V410 HydrophobicContact CG1-CG2 3.97Å; P284-V410 HydrophobicContact CG-CG2 3.91Å; V410-F415 HydrophobicContact CB-CD1 4.27Å; V410-F415 HydrophobicContact CB-CD2 4.36Å; V410-F415 HydrophobicContact CB-CG 4.17Å; V410-F415 HydrophobicContact CG1-CD1 4.4Å; V410-F415 HydrophobicContact CG1-CD2 3.65Å; V410-F415 HydrophobicContact CG1-CE2 3.83Å; V410-F415 HydrophobicContact CG1-CG 3.95Å; V410-F415 HydrophobicContact CG1-CZ 4.28Å; V410-F415 VanDerWaalsContact O-CB 3.3Å; V410-F415 WeakPolarHBondContact O-CB 3.06Å
411T79.9Confident72Confident80 Ų8062.1 Ų62.149%0.49139%0.394SS..  trans-107.6153.4-176.658.10000111.4G142 V143 A409G142-T411 CarbonylContact C-O 3.49Å; V143-T411 WeakPolarHBondContact CA-O 3.49Å; V143-T411 WeakPolarHBondContact CG2-O 3.42Å; V143-T411 PolarHBondContact N-O 3.13Å; A409-T411 WeakPolarHBondContact O-CG2 3.25Å; A409-T411 PolarHBondContact O-N 2.94Å
412G83.5Confident71.8Confident22 Ų2268.9 Ų68.923%0.22742%0.416CS..SBendtrans78.7-178.8-178.600000114.4V143 A414 F415V143-G412 VanDerWaalsContact CG2-C 3.46Å; V143-G412 VanDerWaalsContact CG2-O 3.27Å; V143-G412 WeakPolarHBondContact CG2-O 3.5Å; G412-A414 PolarHBondContact O-N 3Å; G412-F415 WeakPolarHBondContact O-CB 3.27Å; G412-F415 PolarHBondContact O-N 2.86Å
413G87.4Confident71.6Confident33 Ų3368 Ų6834%0.3441%0.413SS..G310 helixtrans52.9-139.3-175.400000112.2L76 I77 F415L76-G413 WeakPolarHBondContact O-CA 3.46Å; I77-G413 WeakPolarHBondContact O-CA 3.38Å; G413-F415 PolarHBondContact O-N 2.65Å
414A85.3Confident71.2Confident21 Ų2168.4 Ų68.417%0.17441%0.411CS..G310 helixtrans-78.3-0.8-179.100000114.5Y75 L76 F277 G412Y75-A414 HydrophobicContact CD1-CB 4.45Å; Y75-A414 HydrophobicContact CE1-CB 4.29Å; Y75-A414 VanDerWaalsContact O-CB 3.29Å; Y75-A414 WeakPolarHBondContact O-CB 3.37Å; L76-A414 PolarHBondContact O-N 3.2Å; F277-A414 HydrophobicContact CE2-CB 3.47Å; F277-A414 VanDerWaalsContact CE2-CB 3.47Å; F277-A414 WeakPolarHBondContact CE2-O 3.4Å; F277-A414 HydrophobicContact CZ-CB 3.83Å; G412-A414 PolarHBondContact O-N 3Å
415F83.3Confident71.1Confident31 Ų3163.1 Ų63.114%0.13639%0.386CS..G310 helixtrans-85.2-26.3176.5-59.5-89.2000112.3L76 V143 F277 L280 A281 V410 G412 G413 T417L76-F415 HydrophobicContact CB-CE2 4.27Å; L76-F415 HydrophobicContact CD2-CE2 4.01Å; L76-F415 HydrophobicContact CD2-CZ 3.84Å; V143-F415 HydrophobicContact CG1-CD2 4.1Å; V143-F415 HydrophobicContact CG1-CE2 3.68Å; V143-F415 HydrophobicContact CG2-CD2 3.86Å; V143-F415 HydrophobicContact CG2-CE2 4.24Å; F277-F415 HydrophobicContact CB-CD1 4.22Å; F277-F415 HydrophobicContact CB-CE1 4.07Å; F277-F415 HydrophobicContact CG-CD1 4.49Å; F277-F415 HydrophobicContact CG-CE1 4.25Å; F277-F415 WeakPolarHBondContact O-CE1 3.01Å; L280-F415 HydrophobicContact CB-CE1 4Å; L280-F415 HydrophobicContact CB-CZ 4.12Å; L280-F415 HydrophobicContact CD1-CZ 4.47Å; A281-F415 HydrophobicContact CB-CD1 4.17Å; A281-F415 HydrophobicContact CB-CE1 4.39Å; V410-F415 HydrophobicContact CB-CD1 4.27Å; V410-F415 HydrophobicContact CB-CD2 4.36Å; V410-F415 HydrophobicContact CB-CG 4.17Å; V410-F415 HydrophobicContact CG1-CD1 4.4Å; V410-F415 HydrophobicContact CG1-CD2 3.65Å; V410-F415 HydrophobicContact CG1-CE2 3.83Å; V410-F415 HydrophobicContact CG1-CG 3.95Å; V410-F415 HydrophobicContact CG1-CZ 4.28Å; V410-F415 VanDerWaalsContact O-CB 3.3Å; V410-F415 WeakPolarHBondContact O-CB 3.06Å; G412-F415 WeakPolarHBondContact O-CB 3.27Å; G412-F415 PolarHBondContact O-N 2.86Å; G413-F415 PolarHBondContact O-N 2.65Å; F415-T417 PolarHBondContact O-N 2.93Å
416D74.2Confident71.2Confident100 Ų10058.3 Ų58.354%0.53536%0.357SS..  trans-8983.6178.7-166.910.4000111.6S418D416-S418 PolarHBondContact OD1-OG 3.19Å
417T65.5Low71.8Confident67 Ų6755 Ų5541%0.41136%0.357SS..  trans-109.20.3172.955.80000112.5F415 T420 S423F415-T417 PolarHBondContact O-N 2.93Å; T417-T420 PolarHBondContact O-OG1 3.37Å; T417-S423 WeakPolarHBondContact O-CB 3.5Å
418S64.6Low73Confident92 Ų9257.1 Ų57.164%0.64336%0.359SS*.THydrogen-bonded Turntrans-69.9133.9-16969.70000112.4D416 T420D416-S418 PolarHBondContact OD1-OG 3.19Å; S418-T420 VanDerWaalsContact C-N 3.34Å; S418-T420 PolarHBondContact O-N 3.35Å
419G66.2Low74.4Confident38 Ų3852.8 Ų52.839%0.39233%0.331SS..THydrogen-bonded Turntrans77.211173.400000116.2F435G419-F435 WeakPolarHBondContact O-CE1 3.42Å
420T74.5Confident75.5Confident53 Ų5351.4 Ų51.433%0.32532%0.317SS..SBendtrans-105.6153.8173.975.60000111.4T417 S418 F422 S423 F435T417-T420 PolarHBondContact O-OG1 3.37Å; S418-T420 VanDerWaalsContact C-N 3.34Å; S418-T420 PolarHBondContact O-N 3.35Å; T420-F422 PolarHBondContact O-N 2.86Å; T420-F422 PolarHBondContact OG1-N 3.2Å; T420-S423 VanDerWaalsContact O-CB 3.29Å; T420-S423 WeakPolarHBondContact O-CB 3.4Å; T420-S423 PolarHBondContact O-N 3.31Å; T420-S423 PolarHBondContact O-OG 3.45Å; T420-S423 PolarHBondContact OG1-N 2.95Å; T420-F435 VanDerWaalsContact O-CZ 3.29Å; T420-F435 WeakPolarHBondContact O-CZ 3.19Å
421P73.2Confident75.8Confident75 Ų7553.5 Ų53.549%0.48733%0.326SS..THydrogen-bonded Turntrans-61-10.9172.3-21.832000114.5A426 F435P421-A426 VanDerWaalsContact O-CB 3.25Å; P421-A426 WeakPolarHBondContact O-CB 3.34Å; P421-F435 VanDerWaalsContact CA-CE2 3.47Å; P421-F435 HydrophobicContact CB-CD2 4Å; P421-F435 HydrophobicContact CB-CE2 4.26Å; P421-F435 HydrophobicContact CB-CG 4.19Å; P421-F435 HydrophobicContact CG-CB 4.38Å; P421-F435 HydrophobicContact CG-CD1 3.78Å; P421-F435 HydrophobicContact CG-CD2 4.06Å; P421-F435 HydrophobicContact CG-CE1 4.03Å; P421-F435 HydrophobicContact CG-CE2 4.32Å; P421-F435 HydrophobicContact CG-CG 3.79Å; P421-F435 HydrophobicContact CG-CZ 4.3Å
422F72.7Confident76.1Confident186 Ų18651.9 Ų51.982%0.81631%0.313SS*.THydrogen-bonded Turntrans-100.33.8177.7-51.1-70.7000112.1T420T420-F422 PolarHBondContact O-N 2.86Å; T420-F422 PolarHBondContact OG1-N 3.2Å
423S68.1Low76.2Confident16 Ų1651.1 Ų51.111%0.11231%0.305CS..SBendtrans-62.7145.6170.482.70000109.1T417 T420 H425 A426T417-S423 WeakPolarHBondContact O-CB 3.5Å; T420-S423 VanDerWaalsContact O-CB 3.29Å; T420-S423 WeakPolarHBondContact O-CB 3.4Å; T420-S423 PolarHBondContact O-N 3.31Å; T420-S423 PolarHBondContact O-OG 3.45Å; T420-S423 PolarHBondContact OG1-N 2.95Å; S423-H425 PolarHBondContact O-N 3.43Å; S423-A426 WeakPolarHBondContact O-CB 3.48Å; S423-A426 PolarHBondContact O-N 2.97Å; S423-A426 WeakPolarHBondContact OG-CB 3.47Å
424F63.2Low76.1Confident53 Ų5354.4 Ų54.423%0.23231%0.307CS..THydrogen-bonded Turntrans-56.8137174.6-177-104.8000110.4E270 L271 M274 A426E270-F424 HydrophobicContact CB-CD2 3.94Å; E270-F424 HydrophobicContact CB-CE2 3.68Å; L271-F424 HydrophobicContact CD2-CE1 4.12Å; L271-F424 HydrophobicContact CD2-CE2 4.46Å; L271-F424 HydrophobicContact CD2-CZ 3.48Å; L271-F424 VanDerWaalsContact CD2-CZ 3.48Å; L271-F424 HydrophobicContact CG-CE2 4.47Å; L271-F424 HydrophobicContact CG-CZ 3.91Å; M274-F424 HydrophobicContact CE-CB 3.9Å; M274-F424 HydrophobicContact CE-CD1 3.34Å; M274-F424 HydrophobicContact CE-CE1 3.9Å; M274-F424 HydrophobicContact CE-CG 3.84Å; M274-F424 HydrophobicContact CG-CB 4.48Å; M274-F424 HydrophobicContact CG-CG 4.32Å; M274-F424 HydrophobicContact SD-CB 3.65Å; M274-F424 HydrophobicContact SD-CD1 2.91Å; M274-F424 WeakPolarHBondContact SD-CD1 3.15Å; M274-F424 HydrophobicContact SD-CD2 3.66Å; M274-F424 HydrophobicContact SD-CE1 3.1Å; M274-F424 WeakPolarHBondContact SD-CE1 3.19Å; M274-F424 HydrophobicContact SD-CE2 3.91Å; M274-F424 HydrophobicContact SD-CG 3.12Å; M274-F424 WeakPolarHBondContact SD-CG 3.48Å; M274-F424 HydrophobicContact SD-CZ 3.63Å; F424-A426 PolarHBondContact O-N 3.33Å
425H67.1Low76Confident56 Ų5657.7 Ų57.726%0.25932%0.318SS..THydrogen-bonded Turntrans61.97.1-172-72.342.1000115.9S423 G427 E428 E431 Y515S423-H425 PolarHBondContact O-N 3.43Å; H425-G427 PolarHBondContact O-N 3.44Å; H425-E428 HydrophobicContact CB-CB 4.47Å; H425-E428 IonicContact CE1-OE2 3.94Å; H425-E428 PolarHBondContact O-N 2.87Å; H425-E428 VanDerWaalsContact O-O 3.1Å; H425-E431 WeakPolarHBondContact O-CB 3.43Å; H425-Y515 AromaticContact CD2-CE1 4Å
426A66.9Low76.1Confident8 Ų859.9 Ų59.97%0.06633%0.328CS..THydrogen-bonded Turntrans-50.3-21.3178.100000115.2P421 S423 F424 E431 F435P421-A426 VanDerWaalsContact O-CB 3.25Å; P421-A426 WeakPolarHBondContact O-CB 3.34Å; S423-A426 WeakPolarHBondContact O-CB 3.48Å; S423-A426 PolarHBondContact O-N 2.97Å; S423-A426 WeakPolarHBondContact OG-CB 3.47Å; F424-A426 PolarHBondContact O-N 3.33Å; A426-E431 VanDerWaalsContact O-O 3.05Å; A426-F435 HydrophobicContact CB-CD2 4.48Å; A426-F435 HydrophobicContact CB-CE2 3.86Å
427G72.7Confident76.6Confident54 Ų5465 Ų6556%0.55735%0.346SS*.THydrogen-bonded Turntrans-123.416.4175.900000114.8H425H425-G427 PolarHBondContact O-N 3.44Å
428E81.4Confident77.8Confident70 Ų7068.3 Ų68.333%0.32736%0.357SS..SBendtrans-127.3147.7179-67.1-170.8175.100111K267 H425 F430 E431 Y515K267-E428 IonicContact NZ-OE1 2.71Å; K267-E428 PolarHBondContact NZ-OE1 2.96Å; K267-E428 VanDerWaalsContact NZ-OE1 3.11Å; K267-E428 IonicContact NZ-OE2 2.79Å; K267-E428 PolarHBondContact NZ-OE2 3.25Å; H425-E428 HydrophobicContact CB-CB 4.47Å; H425-E428 IonicContact CE1-OE2 3.94Å; H425-E428 PolarHBondContact O-N 2.87Å; H425-E428 VanDerWaalsContact O-O 3.1Å; E428-F430 PolarHBondContact O-N 3.16Å; E428-E431 PolarHBondContact O-N 2.68Å; E428-Y515 HydrophobicContact CB-CE1 4.46Å
429G87.7Confident79.2Confident0 Ų064.2 Ų64.20%033%0.327CS..G310 helixtrans65.5-130.8169.800000113.9E431 E432 L510G429-E431 PolarHBondContact O-N 3.15Å; G429-E432 WeakPolarHBondContact O-CB 3.33Å; G429-E432 PolarHBondContact O-N 2.93Å; G429-L510 WeakPolarHBondContact O-CD1 3.15Å
430F88.6Confident80.5Confident16 Ų1662.5 Ų62.57%0.0731%0.309CS..G310 helixtrans-73.7-7.8-178.8-75.8-81.8000114.4E428 I507 L510 E516 L517 P518 P522 H524 L525E428-F430 PolarHBondContact O-N 3.16Å; F430-I507 HydrophobicContact CE1-CB 4.36Å; F430-I507 HydrophobicContact CE1-CG1 4.12Å; F430-I507 HydrophobicContact CE1-CG2 3.92Å; F430-I507 HydrophobicContact CZ-CG2 3.92Å; F430-L510 HydrophobicContact CD1-CD1 3.73Å; F430-L510 HydrophobicContact CD2-CD1 4.04Å; F430-L510 HydrophobicContact CE1-CD1 3.8Å; F430-L510 HydrophobicContact CE2-CB 3.95Å; F430-L510 HydrophobicContact CE2-CD1 4.09Å; F430-L510 HydrophobicContact CG-CD1 3.84Å; F430-L510 HydrophobicContact CZ-CB 3.94Å; F430-L510 HydrophobicContact CZ-CD1 3.96Å; F430-E516 WeakPolarHBondContact CD2-O 3.19Å; F430-E516 WeakPolarHBondContact CE2-O 3.15Å; F430-L517 HydrophobicContact CE2-CD2 4.47Å; F430-L517 HydrophobicContact CZ-CD2 3.81Å; F430-P518 HydrophobicContact CD1-CG 3.79Å; F430-P518 HydrophobicContact CE1-CG 4.07Å; F430-P518 HydrophobicContact CG-CG 4.07Å; F430-P522 HydrophobicContact CB-CG 4.38Å; F430-H524 PolarHBondContact O-CE1 2.77Å; F430-H524 PolarHBondContact O-NE2 3.19Å; F430-L525 HydrophobicContact CB-CD1 4.49Å; F430-L525 HydrophobicContact CD1-CD1 3.76Å
431E85.6Confident81.5Confident52 Ų5260 Ų6024%0.24329%0.293CS..G310 helixtrans-102.7-7.2176.1-63-67.4135.600111.8H425 A426 E428 G429 G433 R434H425-E431 WeakPolarHBondContact O-CB 3.43Å; A426-E431 VanDerWaalsContact O-O 3.05Å; E428-E431 PolarHBondContact O-N 2.68Å; G429-E431 PolarHBondContact O-N 3.15Å; E431-G433 PolarHBondContact O-N 3.35Å; E431-R434 WeakPolarHBondContact O-CB 3.17Å; E431-R434 PolarHBondContact O-N 3.07Å; E431-R434 WeakPolarHBondContact OE2-CD 3.5Å; E431-R434 IonicContact OE2-CZ 3.12Å; E431-R434 IonicContact OE2-NE 2.94Å; E431-R434 IonicContact OE2-NH1 3.9Å; E431-R434 PolarHBondContact OE2-NH1 3.47Å
432E86.9Confident82.5Confident47 Ų4760 Ų6022%0.2229%0.29CS..THydrogen-bonded Turntrans-59.3128.9177-170.2-179.5170.200110.8G429 R434 I440 H524G429-E432 WeakPolarHBondContact O-CB 3.33Å; G429-E432 PolarHBondContact O-N 2.93Å; E432-R434 VanDerWaalsContact C-N 3.31Å; E432-R434 PolarHBondContact O-N 3.2Å; E432-I440 HydrophobicContact CB-CG1 4.48Å; E432-I440 HydrophobicContact CG-CD1 3.95Å; E432-I440 HydrophobicContact CG-CG1 4.07Å; E432-H524 PolarHBondContact O-NE2 2.94Å
433G86.1Confident83.4Confident6 Ų657.4 Ų57.46%0.06227%0.274CS..THydrogen-bonded Turntrans80.72.2-176.500000115.1E431 F435 E436E431-G433 PolarHBondContact O-N 3.35Å; G433-F435 PolarHBondContact O-N 3.09Å; G433-E436 WeakPolarHBondContact O-CB 3.35Å; G433-E436 PolarHBondContact O-N 2.9Å
434R84.6Confident84.6Confident101 Ų10159.6 Ų59.638%0.38128%0.282SS..THydrogen-bonded Turntrans-55-36.4178.7176.2170.3178179.92.9114.4E431 E432E431-R434 WeakPolarHBondContact O-CB 3.17Å; E431-R434 PolarHBondContact O-N 3.07Å; E431-R434 WeakPolarHBondContact OE2-CD 3.5Å; E431-R434 IonicContact OE2-CZ 3.12Å; E431-R434 IonicContact OE2-NE 2.94Å; E431-R434 IonicContact OE2-NH1 3.9Å; E431-R434 PolarHBondContact OE2-NH1 3.47Å; E432-R434 VanDerWaalsContact C-N 3.31Å; E432-R434 PolarHBondContact O-N 3.2Å
435F83.4Confident86Confident90 Ų9058.9 Ų58.940%0.39528%0.278SS..THydrogen-bonded Turntrans-99.57-179-57.6-77.7000112.7G419 T420 P421 A426 G433G419-F435 WeakPolarHBondContact O-CE1 3.42Å; T420-F435 VanDerWaalsContact O-CZ 3.29Å; T420-F435 WeakPolarHBondContact O-CZ 3.19Å; P421-F435 VanDerWaalsContact CA-CE2 3.47Å; P421-F435 HydrophobicContact CB-CD2 4Å; P421-F435 HydrophobicContact CB-CE2 4.26Å; P421-F435 HydrophobicContact CB-CG 4.19Å; P421-F435 HydrophobicContact CG-CB 4.38Å; P421-F435 HydrophobicContact CG-CD1 3.78Å; P421-F435 HydrophobicContact CG-CD2 4.06Å; P421-F435 HydrophobicContact CG-CE1 4.03Å; P421-F435 HydrophobicContact CG-CE2 4.32Å; P421-F435 HydrophobicContact CG-CG 3.79Å; P421-F435 HydrophobicContact CG-CZ 4.3Å; A426-F435 HydrophobicContact CB-CD2 4.48Å; A426-F435 HydrophobicContact CB-CE2 3.86Å; G433-F435 PolarHBondContact O-N 3.09Å
436E85.4Confident87.3Confident77 Ų7762.4 Ų62.436%0.3629%0.294SS..  trans-94.2152.1177.6-59.5-177.8166.800110.6G433 R443G433-E436 WeakPolarHBondContact O-CB 3.35Å; G433-E436 PolarHBondContact O-N 2.9Å; E436-R443 IonicContact OE1-CZ 3.94Å; E436-R443 IonicContact OE1-NH1 2.9Å; E436-R443 PolarHBondContact OE1-NH1 3.27Å; E436-R443 IonicContact OE1-NH2 3.29Å; E436-R443 PolarHBondContact OE1-NH2 3.34Å; E436-R443 IonicContact OE2-CZ 2.9Å; E436-R443 IonicContact OE2-NE 2.89Å; E436-R443 IonicContact OE2-NH1 2.76Å; E436-R443 PolarHBondContact OE2-NH1 3.43Å; E436-R443 IonicContact OE2-NH2 3.29Å; E436-R443 PolarHBondContact OE2-NH2 2.99Å
437K85Confident88.6Confident208 Ų20865.9 Ų65.990%0.90432%0.316SS*.SBendtrans-77.9-34.6177.7-173.3-179.3177.1-174.20112
438E90.7Very high89.7Confident137 Ų13765.6 Ų65.664%0.6430%0.298SS*.SBendtrans-80.8152.8-178.6-66.7175.1177.800110.4I440E438-I440 PolarHBondContact O-N 3.18Å
439W93.6Very high90.3Very high5 Ų564.4 Ų64.42%0.01929%0.294CS..  trans-78119176.4-174.244.9000109.1V441 D442 D499 L503 L525 P527 P528W439-V441 HydrophobicContact CD2-CB 3.68Å; W439-V441 HydrophobicContact CD2-CG2 4.07Å; W439-V441 VanDerWaalsContact CE2-CG2 3.43Å; W439-V441 HydrophobicContact CE3-CB 3.79Å; W439-V441 HydrophobicContact CE3-CG1 4.34Å; W439-V441 HydrophobicContact CG-CB 4.41Å; W439-V441 HydrophobicContact CH2-CB 3.64Å; W439-V441 HydrophobicContact CH2-CG1 3.56Å; W439-V441 HydrophobicContact CH2-CG2 4.04Å; W439-V441 HydrophobicContact CZ2-CB 3.53Å; W439-V441 HydrophobicContact CZ2-CG1 3.88Å; W439-V441 HydrophobicContact CZ2-CG2 3.43Å; W439-V441 VanDerWaalsContact CZ2-CG2 3.43Å; W439-V441 HydrophobicContact CZ3-CB 3.76Å; W439-V441 HydrophobicContact CZ3-CG1 3.82Å; W439-V441 PolarHBondContact O-N 3.14Å; W439-D442 WeakPolarHBondContact O-CB 3.49Å; W439-D442 PolarHBondContact O-N 3.34Å; W439-D499 HydrophobicContact CH2-CB 4.41Å; W439-D499 WeakPolarHBondContact CH2-O 3.4Å; W439-L503 HydrophobicContact CH2-CB 4.34Å; W439-L503 HydrophobicContact CZ2-CB 4.11Å; W439-L503 HydrophobicContact CZ2-CD1 4.35Å; W439-L525 PolarHBondContact NE1-O 2.64Å; W439-P527 HydrophobicContact CH2-CB 4.07Å; W439-P527 HydrophobicContact CH2-CG 3.97Å; W439-P527 HydrophobicContact CZ2-CB 4.03Å; W439-P527 HydrophobicContact CZ2-CG 3.75Å; W439-P528 HydrophobicContact CB-CG 3.93Å; W439-P528 HydrophobicContact CG-CG 4.27Å
440I93.2Very high90.7Very high2 Ų269.9 Ų69.91%0.0132%0.318CS..G310 helixtrans-54.3-32.2-173-171.460.1000113.3E432 E438 D442 R443 F444 Y506 L525E432-I440 HydrophobicContact CB-CG1 4.48Å; E432-I440 HydrophobicContact CG-CD1 3.95Å; E432-I440 HydrophobicContact CG-CG1 4.07Å; E438-I440 PolarHBondContact O-N 3.18Å; I440-D442 VanDerWaalsContact C-N 3.25Å; I440-D442 PolarHBondContact O-N 3.17Å; I440-R443 WeakPolarHBondContact O-CB 3.41Å; I440-R443 PolarHBondContact O-N 3.16Å; I440-F444 HydrophobicContact CD1-CE2 4.32Å; I440-F444 HydrophobicContact CG1-CE2 4.25Å; I440-F444 WeakPolarHBondContact O-CD2 3.38Å; I440-Y506 HydrophobicContact CG1-CE2 4.44Å; I440-Y506 HydrophobicContact CG2-CE1 4.01Å; I440-L525 HydrophobicContact CG2-CD2 3.41Å; I440-L525 VanDerWaalsContact CG2-CD2 3.41Å
441V94.9Very high90.9Very high0 Ų071.4 Ų71.40%033%0.326CS..G310 helixtrans-64-30179.5-178.30000111.9W439 R443 F444 R445 W448 A502 L503 Y506W439-V441 HydrophobicContact CD2-CB 3.68Å; W439-V441 HydrophobicContact CD2-CG2 4.07Å; W439-V441 VanDerWaalsContact CE2-CG2 3.43Å; W439-V441 HydrophobicContact CE3-CB 3.79Å; W439-V441 HydrophobicContact CE3-CG1 4.34Å; W439-V441 HydrophobicContact CG-CB 4.41Å; W439-V441 HydrophobicContact CH2-CB 3.64Å; W439-V441 HydrophobicContact CH2-CG1 3.56Å; W439-V441 HydrophobicContact CH2-CG2 4.04Å; W439-V441 HydrophobicContact CZ2-CB 3.53Å; W439-V441 HydrophobicContact CZ2-CG1 3.88Å; W439-V441 HydrophobicContact CZ2-CG2 3.43Å; W439-V441 VanDerWaalsContact CZ2-CG2 3.43Å; W439-V441 HydrophobicContact CZ3-CB 3.76Å; W439-V441 HydrophobicContact CZ3-CG1 3.82Å; W439-V441 PolarHBondContact O-N 3.14Å; V441-R443 PolarHBondContact O-N 2.93Å; V441-R443 VanDerWaalsContact O-N 3.16Å; V441-F444 PolarHBondContact O-N 3.14Å; V441-R445 PolarHBondContact O-N 3.37Å; V441-W448 HydrophobicContact CG1-CZ3 4.18Å; V441-A502 HydrophobicContact CG1-CB 3.77Å; V441-L503 HydrophobicContact CG2-CD1 4.43Å; V441-Y506 HydrophobicContact CG2-CD1 3.8Å; V441-Y506 HydrophobicContact CG2-CD2 4.32Å; V441-Y506 HydrophobicContact CG2-CE1 4.41Å; V441-Y506 HydrophobicContact CG2-CG 3.76Å
442D94.2Very high91.3Very high76 Ų7669.5 Ų69.541%0.40632%0.316SS..G310 helixtrans-62.2-24.3178.2-72.4-32.8000112.5W439 I440 F444 R445W439-D442 WeakPolarHBondContact O-CB 3.49Å; W439-D442 PolarHBondContact O-N 3.34Å; I440-D442 VanDerWaalsContact C-N 3.25Å; I440-D442 PolarHBondContact O-N 3.17Å; D442-F444 PolarHBondContact O-N 2.66Å; D442-R445 WeakPolarHBondContact OD1-CD 3.42Å; D442-R445 IonicContact OD1-CZ 3.19Å; D442-R445 IonicContact OD1-NE 3.19Å; D442-R445 IonicContact OD1-NH1 2.94Å; D442-R445 PolarHBondContact OD1-NH1 2.93Å
443R92.6Very high91.7Very high131 Ų13172.7 Ų72.749%0.49433%0.334SS..G310 helixtrans-67.9-23.5174.3-62.7-170.6-179.3159.1-2.3113.4E436 I440 V441E436-R443 IonicContact OE1-CZ 3.94Å; E436-R443 IonicContact OE1-NH1 2.9Å; E436-R443 PolarHBondContact OE1-NH1 3.27Å; E436-R443 IonicContact OE1-NH2 3.29Å; E436-R443 PolarHBondContact OE1-NH2 3.34Å; E436-R443 IonicContact OE2-CZ 2.9Å; E436-R443 IonicContact OE2-NE 2.89Å; E436-R443 IonicContact OE2-NH1 2.76Å; E436-R443 PolarHBondContact OE2-NH1 3.43Å; E436-R443 IonicContact OE2-NH2 3.29Å; E436-R443 PolarHBondContact OE2-NH2 2.99Å; I440-R443 WeakPolarHBondContact O-CB 3.41Å; I440-R443 PolarHBondContact O-N 3.16Å; V441-R443 PolarHBondContact O-N 2.93Å; V441-R443 VanDerWaalsContact O-N 3.16Å
444F92.2Very high92.1Very high62 Ų6279 Ų7927%0.27236%0.36SS..THydrogen-bonded Turntrans-116.6-9.9-171.6-56.9-79000113.5I440 V441 D442 E446 P447 W448 Y506I440-F444 HydrophobicContact CD1-CE2 4.32Å; I440-F444 HydrophobicContact CG1-CE2 4.25Å; I440-F444 WeakPolarHBondContact O-CD2 3.38Å; V441-F444 PolarHBondContact O-N 3.14Å; D442-F444 PolarHBondContact O-N 2.66Å; F444-E446 PolarHBondContact O-N 3.26Å; F444-P447 WeakPolarHBondContact O-CD 3.48Å; F444-W448 HydrophobicContact CB-CE3 4.35Å; F444-W448 HydrophobicContact CB-CH2 3.42Å; F444-W448 VanDerWaalsContact CB-CH2 3.42Å; F444-W448 HydrophobicContact CB-CZ2 4.16Å; F444-W448 HydrophobicContact CB-CZ3 3.54Å; F444-W448 HydrophobicContact CG-CH2 4.31Å; F444-Y506 AromaticContact CD2-CD2 3.94Å; F444-Y506 HydrophobicContact CD2-CD2 3.94Å; F444-Y506 AromaticContact CD2-CE2 3.69Å; F444-Y506 HydrophobicContact CD2-CE2 3.69Å; F444-Y506 HydrophobicContact CE2-CD2 4.45Å; F444-Y506 AromaticContact CE2-CE2 3.76Å; F444-Y506 HydrophobicContact CE2-CE2 3.76Å
445R94.3Very high92.4Very high39 Ų3976 Ų7615%0.14735%0.351CS..  trans-72.7-22.2-167.871.5-178.4-64.7158.68.3115.9V441 D442 W448 D449 D499 A502V441-R445 PolarHBondContact O-N 3.37Å; D442-R445 WeakPolarHBondContact OD1-CD 3.42Å; D442-R445 IonicContact OD1-CZ 3.19Å; D442-R445 IonicContact OD1-NE 3.19Å; D442-R445 IonicContact OD1-NH1 2.94Å; D442-R445 PolarHBondContact OD1-NH1 2.93Å; R445-W448 HydrophobicContact CB-CE3 4.4Å; R445-W448 CarbonylContact O-C 3.57Å; R445-W448 WeakPolarHBondContact O-CA 3.29Å; R445-W448 WeakPolarHBondContact O-CB 3.29Å; R445-W448 PolarHBondContact O-N 2.71Å; R445-D449 WeakPolarHBondContact CG-OD2 3.25Å; R445-D449 IonicContact CZ-OD1 3.45Å; R445-D449 IonicContact CZ-OD2 3.43Å; R445-D449 IonicContact NE-OD1 3.57Å; R445-D449 PolarHBondContact NE-OD1 3.02Å; R445-D449 IonicContact NE-OD2 3.07Å; R445-D449 PolarHBondContact NE-OD2 3.38Å; R445-D449 IonicContact NH2-OD1 2.9Å; R445-D449 PolarHBondContact NH2-OD1 3.25Å; R445-D449 PolarHBondContact O-N 3.3Å; R445-D499 IonicContact CZ-OD1 2.79Å; R445-D499 VanDerWaalsContact CZ-OD1 3.29Å; R445-D499 IonicContact NH1-OD1 2.76Å; R445-D499 PolarHBondContact NH1-OD1 3.3Å; R445-D499 IonicContact NH2-OD1 3.57Å; R445-D499 PolarHBondContact NH2-OD1 2.71Å; R445-A502 HydrophobicContact CB-CB 3.98Å
446E94.3Very high92.8Very high129 Ų12978 Ų7860%0.60337%0.366SS*.Hα-helixtrans-52.8-44.3-172.6-163.5-155.5142.300114.3F444 K450F444-E446 PolarHBondContact O-N 3.26Å; E446-K450 PolarHBondContact O-N 3.38Å; E446-K450 IonicContact OE1-NZ 3.64Å; E446-K450 PolarHBondContact OE1-NZ 3.44Å
447P94.3Very high93.1Very high82 Ų8276 Ų7653%0.53236%0.36SS..Hα-helixtrans-69.5-32.4174.3-17.734.2000113F444 E451F444-P447 WeakPolarHBondContact O-CD 3.48Å; P447-E451 PolarHBondContact O-N 2.82Å; P447-E451 VanDerWaalsContact O-N 3.16Å
448W95.2Very high93.3Very high47 Ų4773.7 Ų73.718%0.17835%0.354CS..Hα-helixtrans-75.3-35.8-179.7-55.6-31.8000112V441 F444 R445 K450 E451 F452 F501 A502 C505 Y506 K509V441-W448 HydrophobicContact CG1-CZ3 4.18Å; F444-W448 HydrophobicContact CB-CE3 4.35Å; F444-W448 HydrophobicContact CB-CH2 3.42Å; F444-W448 VanDerWaalsContact CB-CH2 3.42Å; F444-W448 HydrophobicContact CB-CZ2 4.16Å; F444-W448 HydrophobicContact CB-CZ3 3.54Å; F444-W448 HydrophobicContact CG-CH2 4.31Å; R445-W448 HydrophobicContact CB-CE3 4.4Å; R445-W448 CarbonylContact O-C 3.57Å; R445-W448 WeakPolarHBondContact O-CA 3.29Å; R445-W448 WeakPolarHBondContact O-CB 3.29Å; R445-W448 PolarHBondContact O-N 2.71Å; W448-K450 VanDerWaalsContact C-N 3.3Å; W448-K450 PolarHBondContact O-N 3.04Å; W448-E451 CarbonylContact O-C 3.57Å; W448-E451 PolarHBondContact O-N 3.31Å; W448-E451 VanDerWaalsContact O-N 3.13Å; W448-F452 WeakPolarHBondContact O-CB 2.98Å; W448-F452 PolarHBondContact O-N 3.37Å; W448-F501 HydrophobicContact CB-CE1 4.36Å; W448-F501 WeakPolarHBondContact O-CE1 3.44Å; W448-A502 HydrophobicContact CE3-CB 4.38Å; W448-C505 HydrophobicContact CB-CB 4.28Å; W448-C505 HydrophobicContact CD2-CB 3.36Å; W448-C505 HydrophobicContact CE3-CB 3.71Å; W448-C505 HydrophobicContact CG-CB 3.61Å; W448-C505 HydrophobicContact CH2-CB 4.43Å; W448-C505 HydrophobicContact CZ2-CB 4.12Å; W448-C505 HydrophobicContact CZ3-CB 4.24Å; W448-Y506 HydrophobicContact CH2-CD2 4.01Å; W448-Y506 HydrophobicContact CH2-CG 4.49Å; W448-Y506 HydrophobicContact CZ3-CD2 4.3Å; W448-K509 HydrophobicContact CH2-CD 4.34Å; W448-K509 HydrophobicContact CZ2-CB 4.44Å; W448-K509 HydrophobicContact CZ2-CD 4.33Å
449D94.5Very high93.3Very high45 Ų4575.5 Ų75.524%0.24137%0.369CS..Hα-helixtrans-62.6-39172.9-69.1-29.2000110.7R445 E451 F452 L453R445-D449 WeakPolarHBondContact CG-OD2 3.25Å; R445-D449 IonicContact CZ-OD1 3.45Å; R445-D449 IonicContact CZ-OD2 3.43Å; R445-D449 IonicContact NE-OD1 3.57Å; R445-D449 PolarHBondContact NE-OD1 3.02Å; R445-D449 IonicContact NE-OD2 3.07Å; R445-D449 PolarHBondContact NE-OD2 3.38Å; R445-D449 IonicContact NH2-OD1 2.9Å; R445-D449 PolarHBondContact NH2-OD1 3.25Å; R445-D449 PolarHBondContact O-N 3.3Å; D449-E451 VanDerWaalsContact C-N 3.34Å; D449-E451 PolarHBondContact O-N 3.49Å; D449-F452 WeakPolarHBondContact O-CB 3.49Å; D449-F452 PolarHBondContact O-N 3.17Å; D449-L453 WeakPolarHBondContact O-CG 3.36Å; D449-L453 PolarHBondContact O-N 2.95Å; D449-L453 VanDerWaalsContact O-N 3.12Å
450K94.9Very high93.2Very high115 Ų11577.3 Ų77.350%0.539%0.389SS..Hα-helixtrans-64.5-38.6173.2-69171.6-170.3162.60112E446 W448 K454E446-K450 PolarHBondContact O-N 3.38Å; E446-K450 IonicContact OE1-NZ 3.64Å; E446-K450 PolarHBondContact OE1-NZ 3.44Å; W448-K450 VanDerWaalsContact C-N 3.3Å; W448-K450 PolarHBondContact O-N 3.04Å; K450-K454 WeakPolarHBondContact O-CG 3.38Å; K450-K454 PolarHBondContact O-N 3.35Å
451E93.2Very high93.3Very high49 Ų4980 Ų8023%0.22940%0.4CS..Hα-helixtrans-72.7-38178.4-166.263.4-166.900111.9P447 W448 D449 L453 K454 L455 H470 F501P447-E451 PolarHBondContact O-N 2.82Å; P447-E451 VanDerWaalsContact O-N 3.16Å; W448-E451 CarbonylContact O-C 3.57Å; W448-E451 PolarHBondContact O-N 3.31Å; W448-E451 VanDerWaalsContact O-N 3.13Å; D449-E451 VanDerWaalsContact C-N 3.34Å; D449-E451 PolarHBondContact O-N 3.49Å; E451-L453 VanDerWaalsContact C-N 3.31Å; E451-L453 PolarHBondContact O-N 3.41Å; E451-K454 WeakPolarHBondContact O-CB 3.11Å; E451-K454 PolarHBondContact O-N 2.98Å; E451-K454 VanDerWaalsContact O-N 3.1Å; E451-K454 IonicContact OE2-NZ 2.77Å; E451-K454 PolarHBondContact OE2-NZ 3.36Å; E451-L455 PolarHBondContact O-N 2.88Å; E451-H470 IonicContact OE1-ND1 3.9Å; E451-F501 HydrophobicContact CB-CE1 4.48Å
452F95.1Very high93.3Very high11 Ų1180.2 Ų80.25%0.04840%0.401CS..Hα-helixtrans-54.7-47.5171.9177.9-101.2000111W448 D449 K454 L455 P457 G460 I462 A498 F501W448-F452 WeakPolarHBondContact O-CB 2.98Å; W448-F452 PolarHBondContact O-N 3.37Å; D449-F452 WeakPolarHBondContact O-CB 3.49Å; D449-F452 PolarHBondContact O-N 3.17Å; F452-K454 VanDerWaalsContact C-N 3.3Å; F452-K454 PolarHBondContact O-N 2.92Å; F452-L455 WeakPolarHBondContact O-CB 3.39Å; F452-L455 PolarHBondContact O-N 3.38Å; F452-L455 VanDerWaalsContact O-N 3.09Å; F452-P457 HydrophobicContact CD1-CG 4.16Å; F452-P457 HydrophobicContact CE1-CB 3.74Å; F452-P457 HydrophobicContact CE1-CG 3.69Å; F452-P457 HydrophobicContact CE2-CB 4.49Å; F452-P457 HydrophobicContact CZ-CB 3.71Å; F452-P457 HydrophobicContact CZ-CG 4.2Å; F452-P457 WeakPolarHBondContact O-CD 3.45Å; F452-G460 WeakPolarHBondContact CZ-O 3.41Å; F452-I462 HydrophobicContact CD2-CD1 4.28Å; F452-I462 HydrophobicContact CD2-CG1 4.4Å; F452-I462 HydrophobicContact CD2-CG2 4.1Å; F452-I462 HydrophobicContact CE2-CB 4.41Å; F452-I462 HydrophobicContact CE2-CD1 4.36Å; F452-I462 HydrophobicContact CE2-CG1 3.99Å; F452-I462 HydrophobicContact CE2-CG2 3.76Å; F452-I462 HydrophobicContact CZ-CG2 4.31Å; F452-A498 HydrophobicContact CD1-CB 4.1Å; F452-A498 HydrophobicContact CE1-CB 3.88Å; F452-A498 HydrophobicContact CZ-CB 4.16Å; F452-F501 HydrophobicContact CB-CD1 3.67Å; F452-F501 HydrophobicContact CB-CE1 3.95Å; F452-F501 HydrophobicContact CB-CG 4.34Å; F452-F501 HydrophobicContact CD2-CB 3.64Å; F452-F501 AromaticContact CD2-CD1 3.92Å; F452-F501 HydrophobicContact CD2-CD1 3.92Å; F452-F501 HydrophobicContact CD2-CD2 4.35Å; F452-F501 AromaticContact CD2-CG 3.7Å; F452-F501 HydrophobicContact CD2-CG 3.7Å; F452-F501 HydrophobicContact CE2-CB 4.11Å; F452-F501 HydrophobicContact CG-CD1 4.25Å; F452-F501 HydrophobicContact CG-CG 4.48Å
453L94.3Very high93.3Very high115 Ų11579.4 Ų79.460%0.60240%0.402SS*.Hα-helixtrans-62.4-34.4177.5-68.3173.7000113D449 E451 L455 N456 P457D449-L453 WeakPolarHBondContact O-CG 3.36Å; D449-L453 PolarHBondContact O-N 2.95Å; D449-L453 VanDerWaalsContact O-N 3.12Å; E451-L453 VanDerWaalsContact C-N 3.31Å; E451-L453 PolarHBondContact O-N 3.41Å; L453-L455 PolarHBondContact O-N 2.93Å; L453-N456 PolarHBondContact O-N 3.43Å; L453-P457 HydrophobicContact CD2-CG 4.44Å
454K93.6Very high93.3Very high137 Ų13774.3 Ų74.360%0.59639%0.39SS*.Hα-helixtrans-69.5-21.2176.2-67.6179.8-152.1154.40113.4K450 E451 F452 N456K450-K454 WeakPolarHBondContact O-CG 3.38Å; K450-K454 PolarHBondContact O-N 3.35Å; E451-K454 WeakPolarHBondContact O-CB 3.11Å; E451-K454 PolarHBondContact O-N 2.98Å; E451-K454 VanDerWaalsContact O-N 3.1Å; E451-K454 IonicContact OE2-NZ 2.77Å; E451-K454 PolarHBondContact OE2-NZ 3.36Å; F452-K454 VanDerWaalsContact C-N 3.3Å; F452-K454 PolarHBondContact O-N 2.92Å; K454-N456 PolarHBondContact O-N 2.91Å
455L92.4Very high93.3Very high39 Ų3977.2 Ų77.220%0.20440%0.404CS..THydrogen-bonded Turntrans-77.43174.5-64172.6000112.5E451 F452 L453 I462 H470 F501E451-L455 PolarHBondContact O-N 2.88Å; F452-L455 WeakPolarHBondContact O-CB 3.39Å; F452-L455 PolarHBondContact O-N 3.38Å; F452-L455 VanDerWaalsContact O-N 3.09Å; L453-L455 PolarHBondContact O-N 2.93Å; L455-I462 HydrophobicContact CB-CG2 3.91Å; L455-I462 HydrophobicContact CD1-CD1 3.76Å; L455-H470 HydrophobicContact CD1-CB 4.11Å; L455-H470 HydrophobicContact CD2-CB 4.46Å; L455-F501 HydrophobicContact CD1-CE2 3.69Å; L455-F501 HydrophobicContact CD1-CZ 3.81Å
456N91.1Very high93.2Very high132 Ų13276.6 Ų76.671%0.70641%0.407SS*.  trans55.265.4177.9-58.8-54.5000112.7L453 K454 M458L453-N456 PolarHBondContact O-N 3.43Å; K454-N456 PolarHBondContact O-N 2.91Å; N456-M458 PolarHBondContact O-N 3.4Å
457P91.9Very high93.1Very high36 Ų3670.4 Ų70.423%0.23438%0.379CS..  trans-60.8135.8178.526.4-33.5000110.8F452 L453 K461 I462F452-P457 HydrophobicContact CD1-CG 4.16Å; F452-P457 HydrophobicContact CE1-CB 3.74Å; F452-P457 HydrophobicContact CE1-CG 3.69Å; F452-P457 HydrophobicContact CE2-CB 4.49Å; F452-P457 HydrophobicContact CZ-CB 3.71Å; F452-P457 HydrophobicContact CZ-CG 4.2Å; F452-P457 WeakPolarHBondContact O-CD 3.45Å; L453-P457 HydrophobicContact CD2-CG 4.44Å; P457-K461 CarbonylContact C-O 3.59Å; P457-K461 VanDerWaalsContact CA-O 3.24Å; P457-K461 WeakPolarHBondContact CA-O 3.46Å; P457-I462 HydrophobicContact CB-CG2 3.92Å
458M88.3Confident93.1Very high158 Ų15873 Ų7378%0.77838%0.378SS*.BIsolated β-bridgetrans-105.5130.3172.2-64.9-139.2-78.300108.6N456 G460 K461N456-M458 PolarHBondContact O-N 3.4Å; M458-G460 PolarHBondContact O-N 2.87Å; M458-G460 VanDerWaalsContact O-N 3.13Å; M458-K461 PolarHBondContact N-O 3.2Å; M458-K461 PolarHBondContact O-N 2.99Å; M458-K461 VanDerWaalsContact O-O 3.12Å
459D91.3Very high92.9Very high176 Ų17673.8 Ų73.894%0.94139%0.39SS*.THydrogen-bonded Turntrans50.535.5-173.6-60.8-29.3000113.8K461D459-K461 VanDerWaalsContact C-N 3.32Å; D459-K461 PolarHBondContact O-N 3.3Å
460G92.5Very high92.9Very high43 Ų4373.1 Ų73.144%0.44339%0.385SS..THydrogen-bonded Turntrans78.39178.600000115F452 M458F452-G460 WeakPolarHBondContact CZ-O 3.41Å; M458-G460 PolarHBondContact O-N 2.87Å; M458-G460 VanDerWaalsContact O-N 3.13Å
461K94.6Very high92.9Very high57 Ų5767.9 Ų67.925%0.24836%0.363CS..EExtended strand (participates in β ladder)trans-128.4151.3178.5-59.9-162.2176.6-149.60112.9P457 M458 D459 D491 D493 C495 L496 D497P457-K461 CarbonylContact C-O 3.59Å; P457-K461 VanDerWaalsContact CA-O 3.24Å; P457-K461 WeakPolarHBondContact CA-O 3.46Å; M458-K461 PolarHBondContact N-O 3.2Å; M458-K461 PolarHBondContact O-N 2.99Å; M458-K461 VanDerWaalsContact O-O 3.12Å; D459-K461 VanDerWaalsContact C-N 3.32Å; D459-K461 PolarHBondContact O-N 3.3Å; K461-D491 IonicContact NZ-OD2 3.46Å; K461-D491 PolarHBondContact NZ-OD2 3.33Å; K461-D493 WeakPolarHBondContact CE-OD2 3.38Å; K461-D493 IonicContact NZ-OD1 3.88Å; K461-D493 IonicContact NZ-OD2 2.59Å; K461-D493 PolarHBondContact NZ-OD2 3.16Å; K461-C495 HydrophobicContact CB-CB 4.1Å; K461-C495 HydrophobicContact CD-CB 4.01Å; K461-L496 CarbonylContact C-O 3.59Å; K461-L496 WeakPolarHBondContact CA-O 3.43Å; K461-D497 HydrophobicContact CG-CB 4.19Å
462I94.9Very high93Very high5 Ų568 Ų683%0.02637%0.367CS..EExtended strand (participates in β ladder)trans-105.4147168.261169.5000110.3F452 L455 P457 A466 S467 C495 L496 F501F452-I462 HydrophobicContact CD2-CD1 4.28Å; F452-I462 HydrophobicContact CD2-CG1 4.4Å; F452-I462 HydrophobicContact CD2-CG2 4.1Å; F452-I462 HydrophobicContact CE2-CB 4.41Å; F452-I462 HydrophobicContact CE2-CD1 4.36Å; F452-I462 HydrophobicContact CE2-CG1 3.99Å; F452-I462 HydrophobicContact CE2-CG2 3.76Å; F452-I462 HydrophobicContact CZ-CG2 4.31Å; L455-I462 HydrophobicContact CB-CG2 3.91Å; L455-I462 HydrophobicContact CD1-CD1 3.76Å; P457-I462 HydrophobicContact CB-CG2 3.92Å; I462-A466 HydrophobicContact CB-CB 4.39Å; I462-S467 WeakPolarHBondContact CD1-OG 3.48Å; I462-S467 WeakPolarHBondContact CG1-OG 3.07Å; I462-C495 CarbonylContact O-C 3.5Å; I462-C495 VanDerWaalsContact O-CA 3.25Å; I462-C495 WeakPolarHBondContact O-CA 3.45Å; I462-C495 VanDerWaalsContact O-CB 3.27Å; I462-C495 WeakPolarHBondContact O-CB 3.1Å; I462-L496 HydrophobicContact CD1-CB 4.42Å; I462-L496 HydrophobicContact CG1-CB 3.96Å; I462-L496 WeakPolarHBondContact CG1-O 3.25Å; I462-L496 PolarHBondContact N-O 2.91Å; I462-L496 PolarHBondContact O-N 3.03Å; I462-F501 HydrophobicContact CD1-CD2 3.5Å; I462-F501 VanDerWaalsContact CD1-CD2 3.5Å; I462-F501 HydrophobicContact CD1-CE2 3.85Å; I462-F501 HydrophobicContact CD1-CG 4.33Å
463S94.1Very high92.9Very high60 Ų6074.3 Ų74.342%0.4239%0.394SS..EExtended strand (participates in β ladder)trans-72.4159.8179.168.80000112.3E465 A466 S467S463-E465 PolarHBondContact O-N 3.31Å; S463-A466 PolarHBondContact O-N 2.91Å; S463-A466 PolarHBondContact OG-N 3.06Å; S463-S467 WeakPolarHBondContact O-CB 3.25Å; S463-S467 PolarHBondContact O-N 3.38Å; S463-S467 PolarHBondContact O-OG 3.1Å
464G91.9Very high92.7Very high23 Ų2370 Ų7024%0.23737%0.373CS..Hα-helixtrans-55.7-32.9172.700000114.1R468 G494G464-R468 WeakPolarHBondContact O-CB 3.48Å; G464-R468 PolarHBondContact O-N 3.28Å; G464-G494 PolarHBondContact N-O 3.36Å
465E92.1Very high92.7Very high124 Ų12470.6 Ų70.658%0.57938%0.383SS*.Hα-helixtrans-71.5-41.5177.4-174.258.4-153.300112.4S463 R468 S469S463-E465 PolarHBondContact O-N 3.31Å; E465-R468 PolarHBondContact O-N 2.98Å; E465-S469 WeakPolarHBondContact O-CB 3.47Å; E465-S469 PolarHBondContact O-N 2.95Å; E465-S469 PolarHBondContact O-OG 3.18Å
466A93Very high92.7Very high25 Ų2569.8 Ų69.821%0.20738%0.379CS..Hα-helixtrans-63.9-44.2174.900000110.9I462 S463 S469 H470I462-A466 HydrophobicContact CB-CB 4.39Å; S463-A466 PolarHBondContact O-N 2.91Å; S463-A466 PolarHBondContact OG-N 3.06Å; A466-S469 PolarHBondContact O-N 3Å; A466-H470 PolarHBondContact O-N 2.71Å; A466-H470 VanDerWaalsContact O-N 3.11Å
467S92.6Very high92.9Very high0 Ų067.2 Ų67.20%037%0.369CS..Hα-helixtrans-60.8-48.9175.8-54.60000111.6I462 S463 S469 H470 M471 W485 L496I462-S467 WeakPolarHBondContact CD1-OG 3.48Å; I462-S467 WeakPolarHBondContact CG1-OG 3.07Å; S463-S467 WeakPolarHBondContact O-CB 3.25Å; S463-S467 PolarHBondContact O-N 3.38Å; S463-S467 PolarHBondContact O-OG 3.1Å; S467-S469 VanDerWaalsContact C-N 3.33Å; S467-S469 PolarHBondContact O-N 3.01Å; S467-H470 WeakPolarHBondContact O-CB 3.34Å; S467-H470 PolarHBondContact O-N 3.24Å; S467-H470 VanDerWaalsContact O-N 3.1Å; S467-M471 WeakPolarHBondContact O-CB 3.35Å; S467-M471 VanDerWaalsContact O-CG 3.24Å; S467-M471 WeakPolarHBondContact O-CG 3.47Å; S467-M471 PolarHBondContact O-N 3.19Å; S467-W485 VanDerWaalsContact CB-CZ3 3.48Å; S467-L496 WeakPolarHBondContact OG-CD1 3.39Å
468R93Very high92.9Very high137 Ų13772.5 Ų72.552%0.51739%0.386SS..Hα-helixtrans-56.8-46.4176.5-179.4-176.2-175.7134.42.3111.7G464 E465 H470 M471 V472G464-R468 WeakPolarHBondContact O-CB 3.48Å; G464-R468 PolarHBondContact O-N 3.28Å; E465-R468 PolarHBondContact O-N 2.98Å; R468-H470 PolarHBondContact O-N 3.22Å; R468-M471 PolarHBondContact O-N 3.32Å; R468-V472 HydrophobicContact CG-CG2 4.23Å; R468-V472 VanDerWaalsContact O-CG2 3.29Å; R468-V472 WeakPolarHBondContact O-CG2 3.45Å; R468-V472 PolarHBondContact O-N 3.03Å
469S92.7Very high93.2Very high62 Ų6269 Ų6943%0.43438%0.377SS..Hα-helixtrans-60.4-33.4178.6-67.30000112.5E465 A466 S467 K473E465-S469 WeakPolarHBondContact O-CB 3.47Å; E465-S469 PolarHBondContact O-N 2.95Å; E465-S469 PolarHBondContact O-OG 3.18Å; A466-S469 PolarHBondContact O-N 3Å; S467-S469 VanDerWaalsContact C-N 3.33Å; S467-S469 PolarHBondContact O-N 3.01Å; S469-K473 WeakPolarHBondContact O-CE 3.29Å
470H93.4Very high93.3Very high31 Ų3161 Ų6114%0.14434%0.335CS..Hα-helixtrans-73.2-52.1171.7-178.983000111.6E451 L455 A466 S467 R468 V472 K473 F501E451-H470 IonicContact OE1-ND1 3.9Å; L455-H470 HydrophobicContact CD1-CB 4.11Å; L455-H470 HydrophobicContact CD2-CB 4.46Å; A466-H470 PolarHBondContact O-N 2.71Å; A466-H470 VanDerWaalsContact O-N 3.11Å; S467-H470 WeakPolarHBondContact O-CB 3.34Å; S467-H470 PolarHBondContact O-N 3.24Å; S467-H470 VanDerWaalsContact O-N 3.1Å; R468-H470 PolarHBondContact O-N 3.22Å; H470-V472 VanDerWaalsContact C-N 3.32Å; H470-V472 PolarHBondContact O-N 3.37Å; H470-K473 VanDerWaalsContact O-CB 3.31Å; H470-K473 WeakPolarHBondContact O-CB 3.31Å; H470-K473 PolarHBondContact O-N 3.32Å; H470-K473 VanDerWaalsContact O-N 3.1Å; H470-F501 AromaticContact CD2-CE2 3.83Å; H470-F501 AromaticContact CD2-CZ 3.72Å; H470-F501 AromaticContact NE2-CZ 3.83Å
471M94.9Very high93.5Very high6 Ų659.5 Ų59.53%0.0332%0.317CS..Hα-helixtrans-57.9-40.1-175-71.6174.277.300113.2S467 R468 K473 S474 L481 I484 W485 V504 M508S467-M471 WeakPolarHBondContact O-CB 3.35Å; S467-M471 VanDerWaalsContact O-CG 3.24Å; S467-M471 WeakPolarHBondContact O-CG 3.47Å; S467-M471 PolarHBondContact O-N 3.19Å; R468-M471 PolarHBondContact O-N 3.32Å; M471-K473 PolarHBondContact O-N 3.5Å; M471-S474 WeakPolarHBondContact O-CB 3.38Å; M471-S474 PolarHBondContact O-N 3.19Å; M471-S474 VanDerWaalsContact O-N 3.16Å; M471-S474 PolarHBondContact O-OG 3.4Å; M471-L481 HydrophobicContact CB-CD1 4.47Å; M471-L481 HydrophobicContact CB-CD2 4.09Å; M471-L481 HydrophobicContact CE-CB 4.34Å; M471-L481 HydrophobicContact CE-CD2 4.2Å; M471-L481 WeakPolarHBondContact CE-O 3.35Å; M471-I484 HydrophobicContact CE-CB 4Å; M471-I484 HydrophobicContact CE-CG2 3.75Å; M471-W485 HydrophobicContact CE-CB 4.31Å; M471-W485 HydrophobicContact SD-CE3 4.17Å; M471-V504 HydrophobicContact CE-CG1 3.92Å; M471-V504 HydrophobicContact CG-CG1 4.03Å; M471-V504 HydrophobicContact SD-CG1 3.96Å; M471-M508 HydrophobicContact CB-CE 4.48Å; M471-M508 HydrophobicContact CB-SD 4.24Å; M471-M508 HydrophobicContact CE-SD 4.47Å; M471-M508 HydrophobicContact CG-SD 3.84Å
472V95.1Very high93.4Very high51 Ų5163.3 Ų63.331%0.30933%0.334SS..G310 helixtrans-62.2-25.2-179.5169.70000112.6R468 H470 S474 N475 Y478 L481R468-V472 HydrophobicContact CG-CG2 4.23Å; R468-V472 VanDerWaalsContact O-CG2 3.29Å; R468-V472 WeakPolarHBondContact O-CG2 3.45Å; R468-V472 PolarHBondContact O-N 3.03Å; H470-V472 VanDerWaalsContact C-N 3.32Å; H470-V472 PolarHBondContact O-N 3.37Å; V472-S474 PolarHBondContact O-N 3.44Å; V472-S474 VanDerWaalsContact O-N 3.14Å; V472-N475 PolarHBondContact O-N 2.96Å; V472-Y478 HydrophobicContact CG2-CE1 3.92Å; V472-L481 HydrophobicContact CB-CD1 4.49Å; V472-L481 HydrophobicContact CG2-CD1 3.95Å
473K93.3Very high93.4Very high144 Ų14464.9 Ų64.963%0.62634%0.342SS*.G310 helixtrans-64.7-17.6178.1-61.3175-176175.50113.5S469 H470 M471 N475S469-K473 WeakPolarHBondContact O-CE 3.29Å; H470-K473 VanDerWaalsContact O-CB 3.31Å; H470-K473 WeakPolarHBondContact O-CB 3.31Å; H470-K473 PolarHBondContact O-N 3.32Å; H470-K473 VanDerWaalsContact O-N 3.1Å; M471-K473 PolarHBondContact O-N 3.5Å; K473-N475 PolarHBondContact O-N 2.91Å
474S91Very high93.5Very high23 Ų2362 Ų6216%0.16132%0.322CS..G310 helixtrans-71.1-11.6176.564.70000114.5M471 V472 L476 M508M471-S474 WeakPolarHBondContact O-CB 3.38Å; M471-S474 PolarHBondContact O-N 3.19Å; M471-S474 VanDerWaalsContact O-N 3.16Å; M471-S474 PolarHBondContact O-OG 3.4Å; V472-S474 PolarHBondContact O-N 3.44Å; V472-S474 VanDerWaalsContact O-N 3.14Å; S474-L476 PolarHBondContact O-N 2.92Å; S474-L476 WeakPolarHBondContact OG-CG 3.5Å; S474-L476 PolarHBondContact OG-N 3.38Å; S474-M508 WeakPolarHBondContact OG-CE 3Å
475N92.4Very high93.7Very high150 Ų15063.6 Ų63.680%0.80232%0.321SS*.  trans5916.2-171.2-59.7-49.3000114.6V472 K473V472-N475 PolarHBondContact O-N 2.96Å; K473-N475 PolarHBondContact O-N 2.91Å
476L93.3Very high93.7Very high22 Ų2259.8 Ų59.812%0.11530%0.304CS..  trans-68.6146.4170-70174.8000110.5S474 L481 I484 M508 K511 L512S474-L476 PolarHBondContact O-N 2.92Å; S474-L476 WeakPolarHBondContact OG-CG 3.5Å; S474-L476 PolarHBondContact OG-N 3.38Å; L476-L481 HydrophobicContact CB-CD2 3.73Å; L476-L481 HydrophobicContact CB-CG 4.03Å; L476-L481 HydrophobicContact CD1-CD2 4.08Å; L476-I484 HydrophobicContact CD1-CD1 3.87Å; L476-M508 HydrophobicContact CD1-CB 4.32Å; L476-M508 HydrophobicContact CD1-CG 4.22Å; L476-K511 HydrophobicContact CD1-CB 4.16Å; L476-K511 HydrophobicContact CD1-CG 4.07Å; L476-K511 HydrophobicContact CD2-CB 4.45Å; L476-K511 HydrophobicContact CD2-CG 3.79Å; L476-L512 HydrophobicContact CD1-CG 4.41Å; L476-L512 HydrophobicContact CD2-CD2 3.8Å; L476-L512 HydrophobicContact CD2-CG 4.21Å; L476-L512 HydrophobicContact CG-CD2 4.08Å; L476-L512 HydrophobicContact CG-CG 4.38Å
477P94.3Very high93.8Very high78 Ų7858.6 Ų58.651%0.50629%0.294SS..  trans-56.4144.3175.8-24.633.6000112.3S479 A480 L481P477-S479 PolarHBondContact O-N 3.37Å; P477-S479 VanDerWaalsContact O-N 3.14Å; P477-A480 WeakPolarHBondContact O-CA 3.41Å; P477-A480 WeakPolarHBondContact O-CB 3.46Å; P477-A480 PolarHBondContact O-N 3.46Å; P477-L481 PolarHBondContact O-N 3.13Å
478Y93.5Very high93.8Very high147 Ų14758.6 Ų58.658%0.57629%0.294SS*.Hα-helixtrans-55-34.1178.7-81.1-79.4000113.6V472 L481 K482V472-Y478 HydrophobicContact CG2-CE1 3.92Å; Y478-L481 PolarHBondContact O-N 3.14Å; Y478-K482 WeakPolarHBondContact O-CB 3.41Å; Y478-K482 PolarHBondContact O-N 3.04Å
479S93.6Very high93.8Very high84 Ų8452.5 Ų52.559%0.58727%0.272SS*.Hα-helixtrans-64.1-40.117552.50000112.3P477 N483P477-S479 PolarHBondContact O-N 3.37Å; P477-S479 VanDerWaalsContact O-N 3.14Å; S479-N483 PolarHBondContact O-N 3.08Å
480A93.4Very high93.7Very high8 Ų849.6 Ų49.67%0.06625%0.251CS..Hα-helixtrans-67.7-47.8174.500000110.6P477 K482 N483 I484 L517P477-A480 WeakPolarHBondContact O-CA 3.41Å; P477-A480 WeakPolarHBondContact O-CB 3.46Å; P477-A480 PolarHBondContact O-N 3.46Å; A480-K482 VanDerWaalsContact C-N 3.28Å; A480-K482 PolarHBondContact O-N 2.84Å; A480-N483 PolarHBondContact O-N 3.21Å; A480-I484 VanDerWaalsContact O-CG1 3.25Å; A480-I484 WeakPolarHBondContact O-CG1 3.27Å; A480-I484 PolarHBondContact O-N 2.91Å; A480-L517 HydrophobicContact CB-CD1 4.32Å
481L95.8Very high93.5Very high13 Ų1349.9 Ų49.97%0.06825%0.254CS..Hα-helixtrans-58.6-38.9178.6-65.8-178.3000112.6M471 V472 L476 P477 Y478 I484 W485M471-L481 HydrophobicContact CB-CD1 4.47Å; M471-L481 HydrophobicContact CB-CD2 4.09Å; M471-L481 HydrophobicContact CE-CB 4.34Å; M471-L481 HydrophobicContact CE-CD2 4.2Å; M471-L481 WeakPolarHBondContact CE-O 3.35Å; V472-L481 HydrophobicContact CB-CD1 4.49Å; V472-L481 HydrophobicContact CG2-CD1 3.95Å; L476-L481 HydrophobicContact CB-CD2 3.73Å; L476-L481 HydrophobicContact CB-CG 4.03Å; L476-L481 HydrophobicContact CD1-CD2 4.08Å; P477-L481 PolarHBondContact O-N 3.13Å; Y478-L481 PolarHBondContact O-N 3.14Å; L481-I484 HydrophobicContact CD2-CD1 4.45Å; L481-I484 PolarHBondContact O-N 3.31Å; L481-W485 WeakPolarHBondContact O-CB 3.2Å; L481-W485 PolarHBondContact O-N 2.94Å
482K94.4Very high93.2Very high137 Ų13756.2 Ų56.260%0.59628%0.278SS*.Hα-helixtrans-58.6-47.2172.9-179.1-172.8175.4-170.80111.7Y478 A480 W485 I486Y478-K482 WeakPolarHBondContact O-CB 3.41Å; Y478-K482 PolarHBondContact O-N 3.04Å; A480-K482 VanDerWaalsContact C-N 3.28Å; A480-K482 PolarHBondContact O-N 2.84Å; K482-W485 WeakPolarHBondContact O-CB 3.46Å; K482-W485 PolarHBondContact O-N 3.32Å; K482-I486 HydrophobicContact CG-CD1 4.26Å; K482-I486 WeakPolarHBondContact O-CG1 3.44Å; K482-I486 PolarHBondContact O-N 2.79Å; K482-I486 VanDerWaalsContact O-N 3.09Å
483N94.7Very high93Very high38 Ų3857.3 Ų57.320%0.20328%0.282CS..Hα-helixtrans-68.9-37.6-180-68.6-5.5000111.8S479 A480 W485 I486 L487 L517 Y541S479-N483 PolarHBondContact O-N 3.08Å; A480-N483 PolarHBondContact O-N 3.21Å; N483-W485 VanDerWaalsContact C-N 3.34Å; N483-I486 PolarHBondContact O-N 3.11Å; N483-L487 WeakPolarHBondContact O-CG 3.32Å; N483-L487 PolarHBondContact O-N 2.9Å; N483-L517 HydrophobicContact CB-CD1 3.83Å; N483-Y541 HydrophobicContact CB-CD1 4.02Å; N483-Y541 HydrophobicContact CB-CE1 3.82Å; N483-Y541 HydrophobicContact CB-CE2 4.39Å; N483-Y541 HydrophobicContact CB-CG 4.41Å; N483-Y541 VanDerWaalsContact ND2-CE2 3.35Å; N483-Y541 WeakPolarHBondContact ND2-CE2 3.27Å
484I96Very high92.9Very high0 Ų052.1 Ų52.10%027%0.269CS..Hα-helixtrans-61.5-44.4174.3-65.8174.5000110.5M471 L476 A480 L481 I486 L487 G488 V504 I507 M508 K511 L517M471-I484 HydrophobicContact CE-CB 4Å; M471-I484 HydrophobicContact CE-CG2 3.75Å; L476-I484 HydrophobicContact CD1-CD1 3.87Å; A480-I484 VanDerWaalsContact O-CG1 3.25Å; A480-I484 WeakPolarHBondContact O-CG1 3.27Å; A480-I484 PolarHBondContact O-N 2.91Å; L481-I484 HydrophobicContact CD2-CD1 4.45Å; L481-I484 PolarHBondContact O-N 3.31Å; I484-I486 PolarHBondContact O-N 3.24Å; I484-L487 PolarHBondContact O-N 3.48Å; I484-G488 PolarHBondContact O-N 2.84Å; I484-V504 HydrophobicContact CG2-CG1 3.98Å; I484-I507 HydrophobicContact CB-CG2 4.29Å; I484-I507 HydrophobicContact CD1-CG2 4.31Å; I484-I507 HydrophobicContact CG1-CG2 3.74Å; I484-I507 HydrophobicContact CG2-CB 4.18Å; I484-I507 HydrophobicContact CG2-CG2 3.95Å; I484-M508 HydrophobicContact CD1-CG 3.78Å; I484-M508 HydrophobicContact CG2-CG 3.98Å; I484-K511 HydrophobicContact CD1-CB 4.39Å; I484-L517 HydrophobicContact CD1-CD1 4.41Å; I484-L517 HydrophobicContact CD1-CD2 4.28Å; I484-L517 HydrophobicContact CG1-CD1 3.73Å; I484-L517 HydrophobicContact CG1-CD2 3.8Å; I484-L517 HydrophobicContact CG1-CG 4.44Å
485W95.2Very high93.1Very high56 Ų5652.8 Ų52.821%0.21227%0.273CS..Hα-helixtrans-56.5-49.7174.5173.8-88.1000111.2S467 M471 L481 K482 N483 L487 G488 D489 L496S467-W485 VanDerWaalsContact CB-CZ3 3.48Å; M471-W485 HydrophobicContact CE-CB 4.31Å; M471-W485 HydrophobicContact SD-CE3 4.17Å; L481-W485 WeakPolarHBondContact O-CB 3.2Å; L481-W485 PolarHBondContact O-N 2.94Å; K482-W485 WeakPolarHBondContact O-CB 3.46Å; K482-W485 PolarHBondContact O-N 3.32Å; N483-W485 VanDerWaalsContact C-N 3.34Å; W485-L487 VanDerWaalsContact C-N 3.27Å; W485-L487 PolarHBondContact O-N 3.09Å; W485-G488 PolarHBondContact O-N 3.39Å; W485-G488 VanDerWaalsContact O-N 3.11Å; W485-D489 HydrophobicContact CZ2-CB 4.19Å; W485-D489 WeakPolarHBondContact O-CB 3.45Å; W485-D489 PolarHBondContact O-N 3.09Å; W485-L496 HydrophobicContact CE3-CD1 4.22Å; W485-L496 HydrophobicContact CE3-CD2 4.38Å; W485-L496 HydrophobicContact CE3-CG 4.43Å; W485-L496 HydrophobicContact CH2-CD1 4.46Å; W485-L496 HydrophobicContact CH2-CD2 4.05Å; W485-L496 HydrophobicContact CH2-CG 3.89Å; W485-L496 HydrophobicContact CZ3-CD1 3.64Å; W485-L496 HydrophobicContact CZ3-CD2 3.84Å; W485-L496 HydrophobicContact CZ3-CG 3.56Å
486I93Very high93.2Very high44 Ų4445.7 Ų45.723%0.22624%0.235CC..Hα-helixtrans-59.3-38.8179-66.3164.3000111.6K482 N483 I484 N539K482-I486 HydrophobicContact CG-CD1 4.26Å; K482-I486 WeakPolarHBondContact O-CG1 3.44Å; K482-I486 PolarHBondContact O-N 2.79Å; K482-I486 VanDerWaalsContact O-N 3.09Å; N483-I486 PolarHBondContact O-N 3.11Å; I484-I486 PolarHBondContact O-N 3.24Å; I486-N539 PolarHBondContact O-ND2 3.12Å; I486-N539 PolarHBondContact O-OD1 3.1Å; I486-N539 VanDerWaalsContact O-OD1 3.09Å
487L93.9Very high93.3Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-73.5-30.1177.9-69.6174.5000113.2N483 I484 W485 I490 I507 P518 L521 N539 Y541N483-L487 WeakPolarHBondContact O-CG 3.32Å; N483-L487 PolarHBondContact O-N 2.9Å; I484-L487 PolarHBondContact O-N 3.48Å; W485-L487 VanDerWaalsContact C-N 3.27Å; W485-L487 PolarHBondContact O-N 3.09Å; L487-I490 VanDerWaalsContact O-CD1 3.27Å; L487-I490 WeakPolarHBondContact O-CD1 3.35Å; L487-I507 HydrophobicContact CB-CD1 3.88Å; L487-P518 HydrophobicContact CD1-CG 4.42Å; L487-L521 HydrophobicContact CD2-CB 4.07Å; L487-N539 PolarHBondContact O-ND2 3.11Å; L487-N539 VanDerWaalsContact O-ND2 3.14Å; L487-Y541 HydrophobicContact CD1-CE1 4.07Å; L487-Y541 HydrophobicContact CD2-CD1 4.32Å; L487-Y541 HydrophobicContact CD2-CE1 4.25Å; L487-Y541 HydrophobicContact CG-CD1 4.29Å; L487-Y541 HydrophobicContact CG-CE1 4.12Å
488G93.2Very high93.4Very high0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-88.9-38.1-17400000114.8I484 W485 I490 E500I484-G488 PolarHBondContact O-N 2.84Å; W485-G488 PolarHBondContact O-N 3.39Å; W485-G488 VanDerWaalsContact O-N 3.11Å; G488-I490 VanDerWaalsContact C-N 3.34Å; G488-I490 PolarHBondContact O-N 3.46Å; G488-E500 WeakPolarHBondContact O-CB 3.44Å; G488-E500 WeakPolarHBondContact O-CG 3.48Å
489D93.6Very high93.5Very high9 Ų938.1 Ų38.15%0.04820%0.204CC..  trans-7683.7174.3-178.85.2000109W485 R492 D493 G494 L496W485-D489 HydrophobicContact CZ2-CB 4.19Å; W485-D489 WeakPolarHBondContact O-CB 3.45Å; W485-D489 PolarHBondContact O-N 3.09Å; D489-R492 WeakPolarHBondContact OD1-CA 3.43Å; D489-R492 PolarHBondContact OD1-N 3.09Å; D489-D493 PolarHBondContact OD1-N 3.36Å; D489-G494 PolarHBondContact OD2-N 2.96Å; D489-L496 HydrophobicContact CB-CD2 4.02Å
490I90.2Very high93.6Very high0 Ų034.1 Ų34.10%018%0.176CC..SBendtrans-70-42.1-169.3-58.6-59.1000111.4L487 G488 E500 L503 L521 K530 A536 N539L487-I490 VanDerWaalsContact O-CD1 3.27Å; L487-I490 WeakPolarHBondContact O-CD1 3.35Å; G488-I490 VanDerWaalsContact C-N 3.34Å; G488-I490 PolarHBondContact O-N 3.46Å; I490-E500 HydrophobicContact CG1-CG 4.39Å; I490-E500 PolarHBondContact N-OE1 2.85Å; I490-L503 HydrophobicContact CD1-CD2 3.83Å; I490-L503 HydrophobicContact CG1-CD2 4.26Å; I490-L521 HydrophobicContact CD1-CD2 3.55Å; I490-K530 HydrophobicContact CG2-CB 4.03Å; I490-A536 HydrophobicContact CG2-CB 4.06Å; I490-N539 WeakPolarHBondContact CD1-ND2 3.24Å
491D88.7Confident93.7Very high38 Ų3833.8 Ų33.820%0.20317%0.173CC..SBendtrans-90.1-3.3-179.265.318.7000113.7K461 D493 K530 Q535K461-D491 IonicContact NZ-OD2 3.46Å; K461-D491 PolarHBondContact NZ-OD2 3.33Å; D491-D493 PolarHBondContact O-N 2.95Å; D491-D493 WeakPolarHBondContact OD1-CB 3.45Å; D491-D493 PolarHBondContact OD1-N 3.39Å; D491-K530 IonicContact OD2-NZ 3.29Å; D491-K530 PolarHBondContact OD2-NZ 3.04Å; D491-Q535 VanDerWaalsContact CA-OE1 3.31Å; D491-Q535 PolarHBondContact O-OE1 2.96Å
492R88.5Confident93.8Very high139 Ų13933.1 Ų33.153%0.52517%0.17SC..  trans58.534.7174.5-58.5-173.8176.6-171.2-2112.7D489 G494 N539D489-R492 WeakPolarHBondContact OD1-CA 3.43Å; D489-R492 PolarHBondContact OD1-N 3.09Å; R492-G494 VanDerWaalsContact C-N 3.29Å; R492-N539 PolarHBondContact NH2-OD1 3.06Å
493D90.7Very high93.9Very high74 Ų7426.6 Ų26.640%0.39614%0.142SC..SBendtrans-86-3.717986.2-14.6000113.2K461 D489 D491 C495K461-D493 WeakPolarHBondContact CE-OD2 3.38Å; K461-D493 IonicContact NZ-OD1 3.88Å; K461-D493 IonicContact NZ-OD2 2.59Å; K461-D493 PolarHBondContact NZ-OD2 3.16Å; D489-D493 PolarHBondContact OD1-N 3.36Å; D491-D493 PolarHBondContact O-N 2.95Å; D491-D493 WeakPolarHBondContact OD1-CB 3.45Å; D491-D493 PolarHBondContact OD1-N 3.39Å; D493-C495 VanDerWaalsContact C-N 3.3Å; D493-C495 WeakPolarHBondContact OD1-CA 3.37Å; D493-C495 WeakPolarHBondContact OD1-CB 3.19Å; D493-C495 PolarHBondContact OD1-N 2.92Å; D493-C495 VanDerWaalsContact OD1-O 3.13Å
494G92.5Very high94Very high34 Ų3424.8 Ų24.835%0.35113%0.132SC..SBendtrans82.85.6178.600000114.1G464 D489 R492G464-G494 PolarHBondContact N-O 3.36Å; D489-G494 PolarHBondContact OD2-N 2.96Å; R492-G494 VanDerWaalsContact C-N 3.29Å
495C94.6Very high94Very high38 Ų3825.2 Ų25.226%0.25714%0.135SC..EExtended strand (participates in β ladder)trans-126.1169.3177.4-60.80000109.5K461 I462 D493K461-C495 HydrophobicContact CB-CB 4.1Å; K461-C495 HydrophobicContact CD-CB 4.01Å; I462-C495 CarbonylContact O-C 3.5Å; I462-C495 VanDerWaalsContact O-CA 3.25Å; I462-C495 WeakPolarHBondContact O-CA 3.45Å; I462-C495 VanDerWaalsContact O-CB 3.27Å; I462-C495 WeakPolarHBondContact O-CB 3.1Å; D493-C495 VanDerWaalsContact C-N 3.3Å; D493-C495 WeakPolarHBondContact OD1-CA 3.37Å; D493-C495 WeakPolarHBondContact OD1-CB 3.19Å; D493-C495 PolarHBondContact OD1-N 2.92Å; D493-C495 VanDerWaalsContact OD1-O 3.13Å
496L95.3Very high94.1Very high0 Ų022.5 Ų22.50%013%0.125CC..EExtended strand (participates in β ladder)trans-124.2128172.1-57.2176.4000109.2K461 I462 S467 W485 D489 E500 F501 V504K461-L496 CarbonylContact C-O 3.59Å; K461-L496 WeakPolarHBondContact CA-O 3.43Å; I462-L496 HydrophobicContact CD1-CB 4.42Å; I462-L496 HydrophobicContact CG1-CB 3.96Å; I462-L496 WeakPolarHBondContact CG1-O 3.25Å; I462-L496 PolarHBondContact N-O 2.91Å; I462-L496 PolarHBondContact O-N 3.03Å; S467-L496 WeakPolarHBondContact OG-CD1 3.39Å; W485-L496 HydrophobicContact CE3-CD1 4.22Å; W485-L496 HydrophobicContact CE3-CD2 4.38Å; W485-L496 HydrophobicContact CE3-CG 4.43Å; W485-L496 HydrophobicContact CH2-CD1 4.46Å; W485-L496 HydrophobicContact CH2-CD2 4.05Å; W485-L496 HydrophobicContact CH2-CG 3.89Å; W485-L496 HydrophobicContact CZ3-CD1 3.64Å; W485-L496 HydrophobicContact CZ3-CD2 3.84Å; W485-L496 HydrophobicContact CZ3-CG 3.56Å; D489-L496 HydrophobicContact CB-CD2 4.02Å; L496-E500 HydrophobicContact CB-CB 4.11Å; L496-E500 HydrophobicContact CD2-CB 3.86Å; L496-F501 HydrophobicContact CB-CB 4.38Å; L496-F501 HydrophobicContact CD1-CD2 4.31Å; L496-V504 HydrophobicContact CD1-CB 4.43Å; L496-V504 HydrophobicContact CD1-CG2 3.9Å; L496-V504 HydrophobicContact CD2-CG2 4.33Å
497D95.5Very high94.2Very high26 Ų2620.4 Ų20.414%0.13911%0.114CC..EExtended strand (participates in β ladder)trans-78.2-178.3162.466.640.3000111.6K461 D499 E500 F501 K530K461-D497 HydrophobicContact CG-CB 4.19Å; D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 PolarHBondContact O-N 3.31Å; D497-D499 WeakPolarHBondContact OD1-CB 3.48Å; D497-D499 PolarHBondContact OD1-N 3.45Å; D497-E500 PolarHBondContact N-OE2 3.42Å; D497-E500 PolarHBondContact O-N 3.05Å; D497-E500 PolarHBondContact OD1-N 3.03Å; D497-F501 VanDerWaalsContact O-CB 3.26Å; D497-F501 WeakPolarHBondContact O-CB 3.5Å; D497-F501 PolarHBondContact O-N 3Å; D497-K530 WeakPolarHBondContact OD2-CE 3.41Å; D497-K530 IonicContact OD2-NZ 2.73Å; D497-K530 PolarHBondContact OD2-NZ 3.11Å
498A94.7Very high94.3Very high29 Ų2921 Ų2124%0.2412%0.117CC..Hα-helixtrans-62.8-35.6-17800000113.1F452 A502F452-A498 HydrophobicContact CD1-CB 4.1Å; F452-A498 HydrophobicContact CE1-CB 3.88Å; F452-A498 HydrophobicContact CZ-CB 4.16Å; A498-A502 WeakPolarHBondContact O-CB 3.38Å; A498-A502 PolarHBondContact O-N 3.43Å
499D95.4Very high94.4Very high33 Ų3323.4 Ų23.418%0.17613%0.127CC..Hα-helixtrans-73.9-42.7179.7-74.5-14.9000110.7W439 R445 D497 A502 L503 P527 S529W439-D499 HydrophobicContact CH2-CB 4.41Å; W439-D499 WeakPolarHBondContact CH2-O 3.4Å; R445-D499 IonicContact CZ-OD1 2.79Å; R445-D499 VanDerWaalsContact CZ-OD1 3.29Å; R445-D499 IonicContact NH1-OD1 2.76Å; R445-D499 PolarHBondContact NH1-OD1 3.3Å; R445-D499 IonicContact NH2-OD1 3.57Å; R445-D499 PolarHBondContact NH2-OD1 2.71Å; D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 PolarHBondContact O-N 3.31Å; D497-D499 WeakPolarHBondContact OD1-CB 3.48Å; D497-D499 PolarHBondContact OD1-N 3.45Å; D499-A502 PolarHBondContact O-N 2.78Å; D499-L503 WeakPolarHBondContact O-CB 3.34Å; D499-L503 PolarHBondContact O-N 3.04Å; D499-P527 HydrophobicContact CB-CB 3.87Å; D499-P527 HydrophobicContact CB-CG 4.18Å; D499-S529 WeakPolarHBondContact OD2-CB 3.44Å; D499-S529 PolarHBondContact OD2-OG 2.76Å
500E95.9Very high94.5Very high0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-66.3-38.8176.6-68.4168.3155.900111.5G488 I490 L496 D497 L503 V504 K530G488-E500 WeakPolarHBondContact O-CB 3.44Å; G488-E500 WeakPolarHBondContact O-CG 3.48Å; I490-E500 HydrophobicContact CG1-CG 4.39Å; I490-E500 PolarHBondContact N-OE1 2.85Å; L496-E500 HydrophobicContact CB-CB 4.11Å; L496-E500 HydrophobicContact CD2-CB 3.86Å; D497-E500 PolarHBondContact N-OE2 3.42Å; D497-E500 PolarHBondContact O-N 3.05Å; D497-E500 PolarHBondContact OD1-N 3.03Å; E500-L503 WeakPolarHBondContact O-CB 3.48Å; E500-L503 PolarHBondContact O-N 3.35Å; E500-V504 WeakPolarHBondContact O-CB 3.44Å; E500-V504 WeakPolarHBondContact O-CG2 3.46Å; E500-V504 PolarHBondContact O-N 2.89Å; E500-K530 VanDerWaalsContact CD-NZ 3.29Å; E500-K530 IonicContact OE1-NZ 2.74Å; E500-K530 PolarHBondContact OE1-NZ 3.46Å; E500-K530 IonicContact OE2-NZ 2.83Å
501F96.6Very high94.6Very high1 Ų125.9 Ų25.90%0.00414%0.137CC..Hα-helixtrans-64.6-43.5173.9-175.3-100.3000112.2W448 E451 F452 L455 I462 H470 L496 D497 L503 V504 C505W448-F501 HydrophobicContact CB-CE1 4.36Å; W448-F501 WeakPolarHBondContact O-CE1 3.44Å; E451-F501 HydrophobicContact CB-CE1 4.48Å; F452-F501 HydrophobicContact CB-CD1 3.67Å; F452-F501 HydrophobicContact CB-CE1 3.95Å; F452-F501 HydrophobicContact CB-CG 4.34Å; F452-F501 HydrophobicContact CD2-CB 3.64Å; F452-F501 AromaticContact CD2-CD1 3.92Å; F452-F501 HydrophobicContact CD2-CD1 3.92Å; F452-F501 HydrophobicContact CD2-CD2 4.35Å; F452-F501 AromaticContact CD2-CG 3.7Å; F452-F501 HydrophobicContact CD2-CG 3.7Å; F452-F501 HydrophobicContact CE2-CB 4.11Å; F452-F501 HydrophobicContact CG-CD1 4.25Å; F452-F501 HydrophobicContact CG-CG 4.48Å; L455-F501 HydrophobicContact CD1-CE2 3.69Å; L455-F501 HydrophobicContact CD1-CZ 3.81Å; I462-F501 HydrophobicContact CD1-CD2 3.5Å; I462-F501 VanDerWaalsContact CD1-CD2 3.5Å; I462-F501 HydrophobicContact CD1-CE2 3.85Å; I462-F501 HydrophobicContact CD1-CG 4.33Å; H470-F501 AromaticContact CD2-CE2 3.83Å; H470-F501 AromaticContact CD2-CZ 3.72Å; H470-F501 AromaticContact NE2-CZ 3.83Å; L496-F501 HydrophobicContact CB-CB 4.38Å; L496-F501 HydrophobicContact CD1-CD2 4.31Å; D497-F501 VanDerWaalsContact O-CB 3.26Å; D497-F501 WeakPolarHBondContact O-CB 3.5Å; D497-F501 PolarHBondContact O-N 3Å; F501-L503 VanDerWaalsContact C-N 3.32Å; F501-L503 PolarHBondContact O-N 3.43Å; F501-V504 PolarHBondContact O-N 2.88Å; F501-C505 VanDerWaalsContact CE1-SG 3.57Å; F501-C505 PolarHBondContact O-N 2.91Å; F501-C505 PolarHBondContact O-SG 3.02Å
502A96.7Very high94.9Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-62.2-4117500000111.5V441 R445 W448 A498 D499 C505 Y506V441-A502 HydrophobicContact CG1-CB 3.77Å; R445-A502 HydrophobicContact CB-CB 3.98Å; W448-A502 HydrophobicContact CE3-CB 4.38Å; A498-A502 WeakPolarHBondContact O-CB 3.38Å; A498-A502 PolarHBondContact O-N 3.43Å; D499-A502 PolarHBondContact O-N 2.78Å; A502-C505 PolarHBondContact O-N 2.85Å; A502-Y506 WeakPolarHBondContact O-CB 3.46Å; A502-Y506 PolarHBondContact O-N 3.16Å
503L96.2Very high95Very high0 Ų027.4 Ų27.40%015%0.152CC..Hα-helixtrans-61.3-48.9173.7176.461.8000111.6W439 V441 I490 D499 E500 F501 C505 Y506 I507 L521 L525 P527W439-L503 HydrophobicContact CH2-CB 4.34Å; W439-L503 HydrophobicContact CZ2-CB 4.11Å; W439-L503 HydrophobicContact CZ2-CD1 4.35Å; V441-L503 HydrophobicContact CG2-CD1 4.43Å; I490-L503 HydrophobicContact CD1-CD2 3.83Å; I490-L503 HydrophobicContact CG1-CD2 4.26Å; D499-L503 WeakPolarHBondContact O-CB 3.34Å; D499-L503 PolarHBondContact O-N 3.04Å; E500-L503 WeakPolarHBondContact O-CB 3.48Å; E500-L503 PolarHBondContact O-N 3.35Å; F501-L503 VanDerWaalsContact C-N 3.32Å; F501-L503 PolarHBondContact O-N 3.43Å; L503-C505 VanDerWaalsContact C-N 3.3Å; L503-C505 PolarHBondContact O-N 3.48Å; L503-Y506 WeakPolarHBondContact O-CB 3.42Å; L503-Y506 PolarHBondContact O-N 3.35Å; L503-Y506 VanDerWaalsContact O-N 3.13Å; L503-I507 HydrophobicContact CD1-CD1 3.91Å; L503-I507 HydrophobicContact CD1-CG1 4.03Å; L503-I507 HydrophobicContact CD2-CD1 4.5Å; L503-I507 HydrophobicContact CG-CD1 3.85Å; L503-I507 HydrophobicContact CG-CG1 4.36Å; L503-I507 VanDerWaalsContact O-CG1 3.27Å; L503-I507 WeakPolarHBondContact O-CG1 3.47Å; L503-I507 PolarHBondContact O-N 3.46Å; L503-L521 HydrophobicContact CD1-CD1 4.3Å; L503-L521 HydrophobicContact CD2-CD2 3.71Å; L503-L525 HydrophobicContact CD1-CB 4.32Å; L503-P527 HydrophobicContact CD2-CG 4.33Å
504V96.9Very high94.9Very high0 Ų026.7 Ų26.70%016%0.163CC..Hα-helixtrans-55.9-46.2176.6164.60000110.7M471 I484 L496 E500 F501 Y506 I507 M508M471-V504 HydrophobicContact CE-CG1 3.92Å; M471-V504 HydrophobicContact CG-CG1 4.03Å; M471-V504 HydrophobicContact SD-CG1 3.96Å; I484-V504 HydrophobicContact CG2-CG1 3.98Å; L496-V504 HydrophobicContact CD1-CB 4.43Å; L496-V504 HydrophobicContact CD1-CG2 3.9Å; L496-V504 HydrophobicContact CD2-CG2 4.33Å; E500-V504 WeakPolarHBondContact O-CB 3.44Å; E500-V504 WeakPolarHBondContact O-CG2 3.46Å; E500-V504 PolarHBondContact O-N 2.89Å; F501-V504 PolarHBondContact O-N 2.88Å; V504-Y506 VanDerWaalsContact C-N 3.34Å; V504-Y506 PolarHBondContact O-N 3.44Å; V504-I507 PolarHBondContact O-N 3.41Å; V504-M508 HydrophobicContact CG1-SD 3.88Å; V504-M508 WeakPolarHBondContact O-CB 3.48Å; V504-M508 VanDerWaalsContact O-CG 3.25Å; V504-M508 WeakPolarHBondContact O-CG 3.16Å; V504-M508 PolarHBondContact O-N 3.25Å
505C97.2Very high94.7Very high8 Ų827.7 Ų27.75%0.05416%0.156CC..Hα-helixtrans-63-39.7177.6-67.30000112.2W448 F501 A502 L503 M508 K509W448-C505 HydrophobicContact CB-CB 4.28Å; W448-C505 HydrophobicContact CD2-CB 3.36Å; W448-C505 HydrophobicContact CE3-CB 3.71Å; W448-C505 HydrophobicContact CG-CB 3.61Å; W448-C505 HydrophobicContact CH2-CB 4.43Å; W448-C505 HydrophobicContact CZ2-CB 4.12Å; W448-C505 HydrophobicContact CZ3-CB 4.24Å; F501-C505 VanDerWaalsContact CE1-SG 3.57Å; F501-C505 PolarHBondContact O-N 2.91Å; F501-C505 PolarHBondContact O-SG 3.02Å; A502-C505 PolarHBondContact O-N 2.85Å; L503-C505 VanDerWaalsContact C-N 3.3Å; L503-C505 PolarHBondContact O-N 3.48Å; C505-M508 PolarHBondContact O-N 3.45Å; C505-K509 PolarHBondContact O-N 3.1Å
506Y96.3Very high94.4Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-63.4-47.6175.2-174.7-106.6000112.1I440 V441 F444 W448 A502 L503 V504 M508 K509 L510 L525I440-Y506 HydrophobicContact CG1-CE2 4.44Å; I440-Y506 HydrophobicContact CG2-CE1 4.01Å; V441-Y506 HydrophobicContact CG2-CD1 3.8Å; V441-Y506 HydrophobicContact CG2-CD2 4.32Å; V441-Y506 HydrophobicContact CG2-CE1 4.41Å; V441-Y506 HydrophobicContact CG2-CG 3.76Å; F444-Y506 AromaticContact CD2-CD2 3.94Å; F444-Y506 HydrophobicContact CD2-CD2 3.94Å; F444-Y506 AromaticContact CD2-CE2 3.69Å; F444-Y506 HydrophobicContact CD2-CE2 3.69Å; F444-Y506 HydrophobicContact CE2-CD2 4.45Å; F444-Y506 AromaticContact CE2-CE2 3.76Å; F444-Y506 HydrophobicContact CE2-CE2 3.76Å; W448-Y506 HydrophobicContact CH2-CD2 4.01Å; W448-Y506 HydrophobicContact CH2-CG 4.49Å; W448-Y506 HydrophobicContact CZ3-CD2 4.3Å; A502-Y506 WeakPolarHBondContact O-CB 3.46Å; A502-Y506 PolarHBondContact O-N 3.16Å; L503-Y506 WeakPolarHBondContact O-CB 3.42Å; L503-Y506 PolarHBondContact O-N 3.35Å; L503-Y506 VanDerWaalsContact O-N 3.13Å; V504-Y506 VanDerWaalsContact C-N 3.34Å; V504-Y506 PolarHBondContact O-N 3.44Å; Y506-M508 VanDerWaalsContact C-N 3.28Å; Y506-M508 PolarHBondContact O-N 3.38Å; Y506-K509 WeakPolarHBondContact O-CB 3.45Å; Y506-K509 PolarHBondContact O-N 2.76Å; Y506-L510 HydrophobicContact CD1-CD1 4.03Å; Y506-L510 HydrophobicContact CD1-CG 4.43Å; Y506-L510 HydrophobicContact CE1-CD1 3.52Å; Y506-L510 HydrophobicContact CE1-CG 4.12Å; Y506-L510 WeakPolarHBondContact O-CG 3.35Å; Y506-L510 PolarHBondContact O-N 3.36Å; Y506-L525 HydrophobicContact CD1-CD2 4.37Å; Y506-L525 HydrophobicContact CE1-CD1 4.47Å; Y506-L525 HydrophobicContact CE1-CD2 3.81Å
507I96.6Very high94.2Very high0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-61-40.1176.9-62.7172.6000110.4F430 I484 L487 L503 V504 L510 K511 L517 L521F430-I507 HydrophobicContact CE1-CB 4.36Å; F430-I507 HydrophobicContact CE1-CG1 4.12Å; F430-I507 HydrophobicContact CE1-CG2 3.92Å; F430-I507 HydrophobicContact CZ-CG2 3.92Å; I484-I507 HydrophobicContact CB-CG2 4.29Å; I484-I507 HydrophobicContact CD1-CG2 4.31Å; I484-I507 HydrophobicContact CG1-CG2 3.74Å; I484-I507 HydrophobicContact CG2-CB 4.18Å; I484-I507 HydrophobicContact CG2-CG2 3.95Å; L487-I507 HydrophobicContact CB-CD1 3.88Å; L503-I507 HydrophobicContact CD1-CD1 3.91Å; L503-I507 HydrophobicContact CD1-CG1 4.03Å; L503-I507 HydrophobicContact CD2-CD1 4.5Å; L503-I507 HydrophobicContact CG-CD1 3.85Å; L503-I507 HydrophobicContact CG-CG1 4.36Å; L503-I507 VanDerWaalsContact O-CG1 3.27Å; L503-I507 WeakPolarHBondContact O-CG1 3.47Å; L503-I507 PolarHBondContact O-N 3.46Å; V504-I507 PolarHBondContact O-N 3.41Å; I507-L510 PolarHBondContact O-N 3.26Å; I507-K511 WeakPolarHBondContact O-CB 3.36Å; I507-K511 PolarHBondContact O-N 3.09Å; I507-L517 HydrophobicContact CG2-CD2 3.57Å; I507-L521 HydrophobicContact CD1-CD1 3.97Å
508M96Very high93.8Very high13 Ų1333.6 Ų33.66%0.06418%0.182CC..Hα-helixtrans-63.6-43.9175-72.417358.900112.2M471 S474 L476 I484 V504 C505 Y506 L510 K511 L512M471-M508 HydrophobicContact CB-CE 4.48Å; M471-M508 HydrophobicContact CB-SD 4.24Å; M471-M508 HydrophobicContact CE-SD 4.47Å; M471-M508 HydrophobicContact CG-SD 3.84Å; S474-M508 WeakPolarHBondContact OG-CE 3Å; L476-M508 HydrophobicContact CD1-CB 4.32Å; L476-M508 HydrophobicContact CD1-CG 4.22Å; I484-M508 HydrophobicContact CD1-CG 3.78Å; I484-M508 HydrophobicContact CG2-CG 3.98Å; V504-M508 HydrophobicContact CG1-SD 3.88Å; V504-M508 WeakPolarHBondContact O-CB 3.48Å; V504-M508 VanDerWaalsContact O-CG 3.25Å; V504-M508 WeakPolarHBondContact O-CG 3.16Å; V504-M508 PolarHBondContact O-N 3.25Å; C505-M508 PolarHBondContact O-N 3.45Å; Y506-M508 VanDerWaalsContact C-N 3.28Å; Y506-M508 PolarHBondContact O-N 3.38Å; M508-L510 PolarHBondContact O-N 3.27Å; M508-K511 PolarHBondContact O-N 3.32Å; M508-L512 WeakPolarHBondContact O-CB 3.43Å; M508-L512 WeakPolarHBondContact O-CG 3.47Å; M508-L512 PolarHBondContact O-N 3.34Å
509K95.1Very high93.4Very high49 Ų4935.2 Ų35.221%0.21319%0.19CC..Hα-helixtrans-55.1-51.5173.9172.3-171.7172.7-68.10110.4W448 C505 Y506 K511 L512 E513W448-K509 HydrophobicContact CH2-CD 4.34Å; W448-K509 HydrophobicContact CZ2-CB 4.44Å; W448-K509 HydrophobicContact CZ2-CD 4.33Å; C505-K509 PolarHBondContact O-N 3.1Å; Y506-K509 WeakPolarHBondContact O-CB 3.45Å; Y506-K509 PolarHBondContact O-N 2.76Å; K509-K511 VanDerWaalsContact C-N 3.29Å; K509-K511 PolarHBondContact O-N 3.13Å; K509-L512 PolarHBondContact O-N 3.49Å; K509-L512 VanDerWaalsContact O-N 3.15Å; K509-E513 WeakPolarHBondContact CE-OE1 3.46Å; K509-E513 WeakPolarHBondContact CG-OE1 3.49Å; K509-E513 VanDerWaalsContact NZ-CD 3.31Å; K509-E513 IonicContact NZ-OE1 3.05Å; K509-E513 PolarHBondContact NZ-OE1 3.2Å; K509-E513 IonicContact NZ-OE2 3.91Å; K509-E513 PolarHBondContact NZ-OE2 3.23Å; K509-E513 VanDerWaalsContact NZ-OE2 3.16Å; K509-E513 WeakPolarHBondContact O-CG 3.1Å; K509-E513 PolarHBondContact O-N 2.87Å
510L94.1Very high93Very high0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-60-40.1178.4-66.5-175.5000112G429 F430 Y506 I507 M508 L512 E513 G514 Y515G429-L510 WeakPolarHBondContact O-CD1 3.15Å; F430-L510 HydrophobicContact CD1-CD1 3.73Å; F430-L510 HydrophobicContact CD2-CD1 4.04Å; F430-L510 HydrophobicContact CE1-CD1 3.8Å; F430-L510 HydrophobicContact CE2-CB 3.95Å; F430-L510 HydrophobicContact CE2-CD1 4.09Å; F430-L510 HydrophobicContact CG-CD1 3.84Å; F430-L510 HydrophobicContact CZ-CB 3.94Å; F430-L510 HydrophobicContact CZ-CD1 3.96Å; Y506-L510 HydrophobicContact CD1-CD1 4.03Å; Y506-L510 HydrophobicContact CD1-CG 4.43Å; Y506-L510 HydrophobicContact CE1-CD1 3.52Å; Y506-L510 HydrophobicContact CE1-CG 4.12Å; Y506-L510 WeakPolarHBondContact O-CG 3.35Å; Y506-L510 PolarHBondContact O-N 3.36Å; I507-L510 PolarHBondContact O-N 3.26Å; M508-L510 PolarHBondContact O-N 3.27Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 3.38Å; L510-E513 PolarHBondContact O-N 2.95Å; L510-G514 PolarHBondContact O-N 3.21Å; L510-Y515 HydrophobicContact CB-CD2 4.21Å; L510-Y515 HydrophobicContact CD2-CD2 4.09Å; L510-Y515 HydrophobicContact CD2-CE2 4.3Å; L510-Y515 WeakPolarHBondContact O-CB 3.43Å; L510-Y515 WeakPolarHBondContact O-CD2 3.47Å; L510-Y515 PolarHBondContact O-N 3.24Å; L510-Y515 VanDerWaalsContact O-N 3.07Å
511K93.7Very high92.7Very high61 Ų6138.5 Ų38.527%0.26521%0.21SC..Hα-helixtrans-65.9-37.1177.5-171.953.1173.7171.60112.6L476 I484 I507 M508 K509 E513 G514 Y515 L517L476-K511 HydrophobicContact CD1-CB 4.16Å; L476-K511 HydrophobicContact CD1-CG 4.07Å; L476-K511 HydrophobicContact CD2-CB 4.45Å; L476-K511 HydrophobicContact CD2-CG 3.79Å; I484-K511 HydrophobicContact CD1-CB 4.39Å; I507-K511 WeakPolarHBondContact O-CB 3.36Å; I507-K511 PolarHBondContact O-N 3.09Å; M508-K511 PolarHBondContact O-N 3.32Å; K509-K511 VanDerWaalsContact C-N 3.29Å; K509-K511 PolarHBondContact O-N 3.13Å; K511-E513 VanDerWaalsContact C-N 3.33Å; K511-G514 PolarHBondContact O-N 3.32Å; K511-Y515 WeakPolarHBondContact CD-O 3.43Å; K511-L517 HydrophobicContact CB-CD2 4.21Å; K511-L517 HydrophobicContact CD-CD2 4.25Å; K511-L517 HydrophobicContact CD-CG 4.11Å; K511-L517 HydrophobicContact CG-CD2 4.38Å
512L93.7Very high92.4Very high106 Ų10639.3 Ų39.356%0.55522%0.216SC*.Hα-helixtrans-69.9-30.1175.2-72.5166.8000112.5L476 M508 K509 L510 G514L476-L512 HydrophobicContact CD1-CG 4.41Å; L476-L512 HydrophobicContact CD2-CD2 3.8Å; L476-L512 HydrophobicContact CD2-CG 4.21Å; L476-L512 HydrophobicContact CG-CD2 4.08Å; L476-L512 HydrophobicContact CG-CG 4.38Å; M508-L512 WeakPolarHBondContact O-CB 3.43Å; M508-L512 WeakPolarHBondContact O-CG 3.47Å; M508-L512 PolarHBondContact O-N 3.34Å; K509-L512 PolarHBondContact O-N 3.49Å; K509-L512 VanDerWaalsContact O-N 3.15Å; L510-L512 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 3.38Å; L512-G514 PolarHBondContact O-N 3.05Å
513E91.6Very high91.9Very high103 Ų10343.2 Ų43.248%0.48125%0.248SC..THydrogen-bonded Turntrans-74.9-6.3172.7-72170.2-179.200113.2K509 L510 K511 Y515K509-E513 WeakPolarHBondContact CE-OE1 3.46Å; K509-E513 WeakPolarHBondContact CG-OE1 3.49Å; K509-E513 VanDerWaalsContact NZ-CD 3.31Å; K509-E513 IonicContact NZ-OE1 3.05Å; K509-E513 PolarHBondContact NZ-OE1 3.2Å; K509-E513 IonicContact NZ-OE2 3.91Å; K509-E513 PolarHBondContact NZ-OE2 3.23Å; K509-E513 VanDerWaalsContact NZ-OE2 3.16Å; K509-E513 WeakPolarHBondContact O-CG 3.1Å; K509-E513 PolarHBondContact O-N 2.87Å; L510-E513 PolarHBondContact O-N 2.95Å; K511-E513 VanDerWaalsContact C-N 3.33Å; E513-Y515 HydrophobicContact CB-CD2 3.97Å; E513-Y515 HydrophobicContact CB-CE2 3.94Å
514G88.1Confident91.6Very high60 Ų6044.6 Ų44.662%0.61925%0.254SS*.THydrogen-bonded Turntrans103.31173.700000115.1L510 K511 L512L510-G514 PolarHBondContact O-N 3.21Å; K511-G514 PolarHBondContact O-N 3.32Å; L512-G514 PolarHBondContact O-N 3.05Å
515Y88.8Confident91.4Very high54 Ų5444.6 Ų44.621%0.21225%0.254CS..PPolyproline II helixtrans-71141.3178.1-61.8-79000111.7H425 E428 L510 K511 E513H425-Y515 AromaticContact CD2-CE1 4Å; E428-Y515 HydrophobicContact CB-CE1 4.46Å; L510-Y515 HydrophobicContact CB-CD2 4.21Å; L510-Y515 HydrophobicContact CD2-CD2 4.09Å; L510-Y515 HydrophobicContact CD2-CE2 4.3Å; L510-Y515 WeakPolarHBondContact O-CB 3.43Å; L510-Y515 WeakPolarHBondContact O-CD2 3.47Å; L510-Y515 PolarHBondContact O-N 3.24Å; L510-Y515 VanDerWaalsContact O-N 3.07Å; K511-Y515 WeakPolarHBondContact CD-O 3.43Å; E513-Y515 HydrophobicContact CB-CD2 3.97Å; E513-Y515 HydrophobicContact CB-CE2 3.94Å
516E87.9Confident91.2Very high151 Ų15144.7 Ų44.771%0.70625%0.254SS*.PPolyproline II helixtrans-75.3141.1173.8-68.3-162165.300111.3F430F430-E516 WeakPolarHBondContact CD2-O 3.19Å; F430-E516 WeakPolarHBondContact CE2-O 3.15Å
517L90.6Very high91Very high16 Ų1644.7 Ų44.78%0.08425%0.254CS..PPolyproline II helixtrans-68.6130.1178.4-63.6176.5000109F430 A480 N483 I484 I507 K511 Y541F430-L517 HydrophobicContact CE2-CD2 4.47Å; F430-L517 HydrophobicContact CZ-CD2 3.81Å; A480-L517 HydrophobicContact CB-CD1 4.32Å; N483-L517 HydrophobicContact CB-CD1 3.83Å; I484-L517 HydrophobicContact CD1-CD1 4.41Å; I484-L517 HydrophobicContact CD1-CD2 4.28Å; I484-L517 HydrophobicContact CG1-CD1 3.73Å; I484-L517 HydrophobicContact CG1-CD2 3.8Å; I484-L517 HydrophobicContact CG1-CG 4.44Å; I507-L517 HydrophobicContact CG2-CD2 3.57Å; K511-L517 HydrophobicContact CB-CD2 4.21Å; K511-L517 HydrophobicContact CD-CD2 4.25Å; K511-L517 HydrophobicContact CD-CG 4.11Å; K511-L517 HydrophobicContact CG-CD2 4.38Å; L517-Y541 WeakPolarHBondContact CB-OH 3.26Å; L517-Y541 PolarHBondContact O-OH 2.87Å; L517-Y541 VanDerWaalsContact O-OH 3.09Å
518P87.5Confident90.6Very high22 Ų2247.9 Ų47.914%0.14328%0.275CS..PPolyproline II helixtrans-68150.7174.131.1-35.5000109.7F430 L487 T520 P522 Y541F430-P518 HydrophobicContact CD1-CG 3.79Å; F430-P518 HydrophobicContact CE1-CG 4.07Å; F430-P518 HydrophobicContact CG-CG 4.07Å; L487-P518 HydrophobicContact CD1-CG 4.42Å; P518-T520 WeakPolarHBondContact CB-O 3.45Å; P518-T520 PolarHBondContact O-N 3.09Å; P518-P522 HydrophobicContact CG-CG 4.4Å; P518-Y541 WeakPolarHBondContact O-CE1 3.27Å; P518-Y541 PolarHBondContact O-OH 3.47Å
519P86.3Confident90.2Very high63 Ų6350.8 Ų50.841%0.40930%0.297SS..SBendtrans-67.1-28.6177.227.1-33.5000112.3G540 Y541P519-G540 CarbonylContact O-C 3.46Å; P519-G540 WeakPolarHBondContact O-CA 3.35Å; P519-Y541 PolarHBondContact O-N 3.1Å
520T87.5Confident89.7Confident86 Ų8649.8 Ų49.853%0.52829%0.293SS..BIsolated β-bridgetrans-131.3143.6179.249.70000108.8P518 P522 N539P518-T520 WeakPolarHBondContact CB-O 3.45Å; P518-T520 PolarHBondContact O-N 3.09Å; T520-P522 WeakPolarHBondContact O-CD 3.44Å; T520-N539 WeakPolarHBondContact CA-O 3.24Å
521L90Very high89.2Confident16 Ų1655.1 Ų55.18%0.08431%0.313CS..  trans-66.8126178.4-171.570.3000110.2L487 I490 L503 I507 A523 L525 V526 N539L487-L521 HydrophobicContact CD2-CB 4.07Å; I490-L521 HydrophobicContact CD1-CD2 3.55Å; L503-L521 HydrophobicContact CD1-CD1 4.3Å; L503-L521 HydrophobicContact CD2-CD2 3.71Å; I507-L521 HydrophobicContact CD1-CD1 3.97Å; L521-A523 PolarHBondContact O-N 3.2Å; L521-L525 HydrophobicContact CD1-CB 3.94Å; L521-L525 HydrophobicContact CD1-CD1 4.23Å; L521-L525 HydrophobicContact CG-CB 4.13Å; L521-V526 HydrophobicContact CD2-CG2 3.97Å; L521-N539 PolarHBondContact N-O 3.33Å
522P88.6Confident88.1Confident18 Ų1860.1 Ų60.112%0.11734%0.342CS..  trans-55.6135.5171.7-26.334000111.7F430 P518 T520 H524 L525F430-P522 HydrophobicContact CB-CG 4.38Å; P518-P522 HydrophobicContact CG-CG 4.4Å; T520-P522 WeakPolarHBondContact O-CD 3.44Å; P522-H524 VanDerWaalsContact CB-CE1 3.5Å; P522-H524 WeakPolarHBondContact CB-CE1 3.33Å; P522-H524 PolarHBondContact O-N 2.9Å; P522-H524 VanDerWaalsContact O-N 3.09Å; P522-L525 HydrophobicContact CB-CD1 4.39Å; P522-L525 HydrophobicContact CB-CG 4.32Å; P522-L525 HydrophobicContact CG-CD1 4.13Å; P522-L525 WeakPolarHBondContact O-CB 3.37Å; P522-L525 PolarHBondContact O-N 3.09Å
523A87.5Confident86.7Confident81 Ų8156.7 Ų56.767%0.66933%0.327SS*.G310 helixtrans-57.2-32.3-172.300000114.2L521 L525 V526L521-A523 PolarHBondContact O-N 3.2Å; A523-L525 VanDerWaalsContact C-N 3.29Å; A523-L525 PolarHBondContact O-N 3.19Å; A523-V526 WeakPolarHBondContact O-CB 3.25Å; A523-V526 PolarHBondContact O-N 3.04Å
524H88.7Confident85.2Confident30 Ų3060.2 Ų60.214%0.13934%0.344CS..G310 helixtrans-71.2-24.1178.670.3-83.1000113F430 E432 P522 V526 R531F430-H524 PolarHBondContact O-CE1 2.77Å; F430-H524 PolarHBondContact O-NE2 3.19Å; E432-H524 PolarHBondContact O-NE2 2.94Å; P522-H524 VanDerWaalsContact CB-CE1 3.5Å; P522-H524 WeakPolarHBondContact CB-CE1 3.33Å; P522-H524 PolarHBondContact O-N 2.9Å; P522-H524 VanDerWaalsContact O-N 3.09Å; H524-V526 VanDerWaalsContact C-N 3.34Å; H524-R531 PolarHBondContact O-NH2 2.98Å
525L93.8Very high83.9Confident0 Ų062 Ų620%034%0.336CS..G310 helixtrans-81.5-11.9175.7-63.1-175.5000113F430 W439 I440 L503 Y506 L521 P522 A523F430-L525 HydrophobicContact CB-CD1 4.49Å; F430-L525 HydrophobicContact CD1-CD1 3.76Å; W439-L525 PolarHBondContact NE1-O 2.64Å; I440-L525 HydrophobicContact CG2-CD2 3.41Å; I440-L525 VanDerWaalsContact CG2-CD2 3.41Å; L503-L525 HydrophobicContact CD1-CB 4.32Å; Y506-L525 HydrophobicContact CD1-CD2 4.37Å; Y506-L525 HydrophobicContact CE1-CD1 4.47Å; Y506-L525 HydrophobicContact CE1-CD2 3.81Å; L521-L525 HydrophobicContact CD1-CB 3.94Å; L521-L525 HydrophobicContact CD1-CD1 4.23Å; L521-L525 HydrophobicContact CG-CB 4.13Å; P522-L525 HydrophobicContact CB-CD1 4.39Å; P522-L525 HydrophobicContact CB-CG 4.32Å; P522-L525 HydrophobicContact CG-CD1 4.13Å; P522-L525 WeakPolarHBondContact O-CB 3.37Å; P522-L525 PolarHBondContact O-N 3.09Å; A523-L525 VanDerWaalsContact C-N 3.29Å; A523-L525 PolarHBondContact O-N 3.19Å
526V92.8Very high82.5Confident9 Ų960.2 Ų60.26%0.05533%0.333CS..SBendtrans-63.5126.9172.8-179.90000109.1L521 A523 H524 K530 R531 A536L521-V526 HydrophobicContact CD2-CG2 3.97Å; A523-V526 WeakPolarHBondContact O-CB 3.25Å; A523-V526 PolarHBondContact O-N 3.04Å; H524-V526 VanDerWaalsContact C-N 3.34Å; V526-K530 HydrophobicContact CG1-CB 4.36Å; V526-R531 HydrophobicContact CB-CG 4.22Å; V526-R531 HydrophobicContact CG1-CG 3.92Å; V526-R531 PolarHBondContact O-NE 3.27Å; V526-R531 VanDerWaalsContact O-NE 3.11Å; V526-A536 HydrophobicContact CG1-CB 3.99Å
527P91.9Very high81Confident0 Ų060.6 Ų60.60%034%0.339CS..  trans-55137.2179.8-24.632.9000111.3W439 D499 L503 S529 K530 R531W439-P527 HydrophobicContact CH2-CB 4.07Å; W439-P527 HydrophobicContact CH2-CG 3.97Å; W439-P527 HydrophobicContact CZ2-CB 4.03Å; W439-P527 HydrophobicContact CZ2-CG 3.75Å; D499-P527 HydrophobicContact CB-CB 3.87Å; D499-P527 HydrophobicContact CB-CG 4.18Å; L503-P527 HydrophobicContact CD2-CG 4.33Å; P527-S529 PolarHBondContact O-N 2.94Å; P527-S529 VanDerWaalsContact O-N 3.1Å; P527-K530 HydrophobicContact CB-CB 4.47Å; P527-K530 HydrophobicContact CB-CG 4.39Å; P527-K530 PolarHBondContact O-N 3.4Å; P527-R531 WeakPolarHBondContact O-CG 3.5Å; P527-R531 PolarHBondContact O-N 3.35Å
528P88.9Confident79.6Confident67 Ų6770.1 Ų70.144%0.43537%0.373SS..G310 helixtrans-52.1-36-179.8-28.235.2000113.7W439 K530W439-P528 HydrophobicContact CB-CG 3.93Å; W439-P528 HydrophobicContact CG-CG 4.27Å; P528-K530 PolarHBondContact O-N 2.79Å
529S86.4Confident78.5Confident75 Ų7569.3 Ų69.352%0.52437%0.368SS..G310 helixtrans-63.1-24.2176.554.50000114D499 P527D499-S529 WeakPolarHBondContact OD2-CB 3.44Å; D499-S529 PolarHBondContact OD2-OG 2.76Å; P527-S529 PolarHBondContact O-N 2.94Å; P527-S529 VanDerWaalsContact O-N 3.1Å
530K86.1Confident77.6Confident28 Ų2867.1 Ų67.112%0.12236%0.357CS..G310 helixtrans-110.9-3-174.7-60.2-77.5171115.10114.1I490 D491 D497 E500 V526 P527 P528 N532 S533I490-K530 HydrophobicContact CG2-CB 4.03Å; D491-K530 IonicContact OD2-NZ 3.29Å; D491-K530 PolarHBondContact OD2-NZ 3.04Å; D497-K530 WeakPolarHBondContact OD2-CE 3.41Å; D497-K530 IonicContact OD2-NZ 2.73Å; D497-K530 PolarHBondContact OD2-NZ 3.11Å; E500-K530 VanDerWaalsContact CD-NZ 3.29Å; E500-K530 IonicContact OE1-NZ 2.74Å; E500-K530 PolarHBondContact OE1-NZ 3.46Å; E500-K530 IonicContact OE2-NZ 2.83Å; V526-K530 HydrophobicContact CG1-CB 4.36Å; P527-K530 HydrophobicContact CB-CB 4.47Å; P527-K530 HydrophobicContact CB-CG 4.39Å; P527-K530 PolarHBondContact O-N 3.4Å; P528-K530 PolarHBondContact O-N 2.79Å; K530-N532 PolarHBondContact O-N 2.94Å; K530-S533 PolarHBondContact O-N 3.32Å; K530-S533 VanDerWaalsContact O-N 3.12Å; K530-S533 PolarHBondContact O-OG 2.73Å; K530-S533 VanDerWaalsContact O-OG 3.04Å
531R81.9Confident76.8Confident111 Ų11164.4 Ų64.442%0.41934%0.337SS..THydrogen-bonded Turntrans-60.5-21-175.6-74.2179-175.4176-3115.2H524 V526 P527H524-R531 PolarHBondContact O-NH2 2.98Å; V526-R531 HydrophobicContact CB-CG 4.22Å; V526-R531 HydrophobicContact CG1-CG 3.92Å; V526-R531 PolarHBondContact O-NE 3.27Å; V526-R531 VanDerWaalsContact O-NE 3.11Å; P527-R531 WeakPolarHBondContact O-CG 3.5Å; P527-R531 PolarHBondContact O-N 3.35Å
532N71.8Confident74.9Confident167 Ų16772.5 Ų72.589%0.89337%0.374SS*.THydrogen-bonded Turntrans-94.22-179.6-67.5-22.9000114.1K530K530-N532 PolarHBondContact O-N 2.94Å
533S64.1Low72.8Confident34 Ų3479 Ų7924%0.23840%0.401CS..  trans-80.2133.8177.169.70000110.7K530 Q535 A536K530-S533 PolarHBondContact O-N 3.32Å; K530-S533 VanDerWaalsContact O-N 3.12Å; K530-S533 PolarHBondContact O-OG 2.73Å; K530-S533 VanDerWaalsContact O-OG 3.04Å; S533-Q535 PolarHBondContact O-N 3.12Å; S533-Q535 VanDerWaalsContact O-N 3.09Å; S533-A536 WeakPolarHBondContact O-CB 3.36Å; S533-A536 PolarHBondContact O-N 2.86Å; S533-A536 VanDerWaalsContact O-N 3.09Å; S533-A536 WeakPolarHBondContact OG-CB 3.47Å; S533-A536 PolarHBondContact OG-N 2.81Å
534E60.5Low70.2Confident176 Ų17687.6 Ų87.682%0.82243%0.427SS*.THydrogen-bonded Turntrans-56.7-25.4174-76.2-172.4158.200112.2
535Q61Low69.3Low98 Ų9890.5 Ų90.546%0.45844%0.442SS..THydrogen-bonded Turntrans-74-30.8179.2-70.2170.2-16.200113.2D491 S533 L537 R538 N539D491-Q535 VanDerWaalsContact CA-OE1 3.31Å; D491-Q535 PolarHBondContact O-OE1 2.96Å; S533-Q535 PolarHBondContact O-N 3.12Å; S533-Q535 VanDerWaalsContact O-N 3.09Å; Q535-L537 PolarHBondContact O-N 3.18Å; Q535-R538 PolarHBondContact O-N 3.45Å; Q535-N539 PolarHBondContact O-N 2.89Å
536A58.5Low68Low17 Ų1795.3 Ų95.314%0.1447%0.465CS..G310 helixtrans-58.4-32.8176.800000112.3I490 V526 S533 R538I490-A536 HydrophobicContact CG2-CB 4.06Å; V526-A536 HydrophobicContact CG1-CB 3.99Å; S533-A536 WeakPolarHBondContact O-CB 3.36Å; S533-A536 PolarHBondContact O-N 2.86Å; S533-A536 VanDerWaalsContact O-N 3.09Å; S533-A536 WeakPolarHBondContact OG-CB 3.47Å; S533-A536 PolarHBondContact OG-N 2.81Å; A536-R538 PolarHBondContact O-N 2.59Å
537L55.6Low66.6Low159 Ų159100.1 Ų100.183%0.83249%0.488SS*.G310 helixtrans-69.7-15.7178.3-73.4162.2000113.8Q535Q535-L537 PolarHBondContact O-N 3.18Å
538R60.9Low65.1Low215 Ų215105.9 Ų105.981%0.81152%0.516SS*.G310 helixtrans-117.512.8-177.6-66.2-171.9-179.1-173.82113.5Q535 A536 G540Q535-R538 PolarHBondContact O-N 3.45Å; A536-R538 PolarHBondContact O-N 2.59Å; R538-G540 PolarHBondContact O-N 3.13Å; R538-G540 VanDerWaalsContact O-N 3.08Å
539N66Low63.7Low5 Ų5108.4 Ų108.43%0.02752%0.521CS..  trans-79.9100.1-172.8-149.226.9000112.9I486 L487 I490 R492 T520 L521 Q535I486-N539 PolarHBondContact O-ND2 3.12Å; I486-N539 PolarHBondContact O-OD1 3.1Å; I486-N539 VanDerWaalsContact O-OD1 3.09Å; L487-N539 PolarHBondContact O-ND2 3.11Å; L487-N539 VanDerWaalsContact O-ND2 3.14Å; I490-N539 WeakPolarHBondContact CD1-ND2 3.24Å; R492-N539 PolarHBondContact NH2-OD1 3.06Å; T520-N539 WeakPolarHBondContact CA-O 3.24Å; L521-N539 PolarHBondContact N-O 3.33Å; Q535-N539 PolarHBondContact O-N 2.89Å
540G66.9Low62.1Low18 Ų18110.6 Ų110.619%0.18652%0.521CS..BIsolated β-bridgetrans-168.5170.3177.900000112.4P519 R538P519-G540 CarbonylContact O-C 3.46Å; P519-G540 WeakPolarHBondContact O-CA 3.35Å; R538-G540 PolarHBondContact O-N 3.13Å; R538-G540 VanDerWaalsContact O-N 3.08Å
541Y69.8Low60.4Low28 Ų28116.5 Ų116.511%0.1155%0.55CS..  trans-116.6145.717658.5-85.3000109.7N483 L487 L517 P518 P519 K543N483-Y541 HydrophobicContact CB-CD1 4.02Å; N483-Y541 HydrophobicContact CB-CE1 3.82Å; N483-Y541 HydrophobicContact CB-CE2 4.39Å; N483-Y541 HydrophobicContact CB-CG 4.41Å; N483-Y541 VanDerWaalsContact ND2-CE2 3.35Å; N483-Y541 WeakPolarHBondContact ND2-CE2 3.27Å; L487-Y541 HydrophobicContact CD1-CE1 4.07Å; L487-Y541 HydrophobicContact CD2-CD1 4.32Å; L487-Y541 HydrophobicContact CD2-CE1 4.25Å; L487-Y541 HydrophobicContact CG-CD1 4.29Å; L487-Y541 HydrophobicContact CG-CE1 4.12Å; L517-Y541 WeakPolarHBondContact CB-OH 3.26Å; L517-Y541 PolarHBondContact O-OH 2.87Å; L517-Y541 VanDerWaalsContact O-OH 3.09Å; P518-Y541 WeakPolarHBondContact O-CE1 3.27Å; P518-Y541 PolarHBondContact O-OH 3.47Å; P519-Y541 PolarHBondContact O-N 3.1Å; Y541-K543 HydrophobicContact CE2-CG 4.45Å
542H51.3Low58.8Low186 Ų186116.9 Ų116.986%0.86156%0.56SS**  trans-75.5128.9170.1-67.1-68.3000108.7E544H542-E544 PolarHBondContact O-N 3.02Å
543K43.6Very low57.7Low154 Ų154112.8 Ų112.867%0.6753%0.532SS*.  trans-66.4115.9161.5-83.3-174.6174.6-178.90106.4Y541Y541-K543 HydrophobicContact CE2-CG 4.45Å
544E33.9Very low57.1Low263 Ų263119.9 Ų119.9100%1.22956%0.559SS**  trans-61.40164.8-77.2-179.4171.100111.1H542H542-E544 PolarHBondContact O-N 3.02Å

Retrieved 544 of 544 residues in 1081.3 ms (Link to these results)

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